property_id
string
property_hash
string
last_modified
timestamp[us]
dataset_id
string
multiplicity
int32
software
string
method
string
energy
float64
atomic_forces
list
cauchy_stress
list
cauchy_stress_volume_normalized
bool
electronic_band_gap
float64
electronic_band_gap_type
string
formation_energy
float64
adsorption_energy
float64
atomization_energy
float64
max_force_norm
float64
mean_force_norm
float64
energy_above_hull
float64
configuration_id
string
configuration_hash
string
structure_hash
string
cell
list
positions
list
pbc
list
chemical_formula_hill
string
chemical_formula_reduced
string
chemical_formula_anonymous
string
elements
list
elements_ratios
list
atomic_numbers
list
nsites
int32
nelements
int32
nperiodic_dimensions
int32
dimension_types
list
names
list
labels
list
property_metadata_path
string
configuration_metadata_path
string
hash
string
configuration_metadata
string
property_metadata
string
PO_1000875217342866523547049
10008752173428665235470498823881470049637563214861291055477401652461755065313238865009259361200066024735784546612937725204085296197587404916391571980083329
2025-04-16T16:24:37
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.57
unknown
-70.392885
null
null
null
null
null
CO_8155902561942966724127360
8155902561942966724127360703614334773347651119706763214141538300239052135233611500241041077655969573446759823767660867341887295376948003417738971328110957
12838020059066461069873453955098296613136024898725383234472627332207404949340838372275947317808946270101015241160614689513304596013513194885631340638259085
[ [ 5.0719662, 0.04702603, 0 ], [ -1.34842681, 7.3942886, 0 ], [ 0, 0, 9.63075951 ] ]
[ [ -0.1314953850235269, 2.5874815518151753, 2.4076898775 ], [ 3.8550347750235274, 4.853833078184825, 7.223069632500001 ], [ 2.688148082299318, 5.405410955368412, 2.4076898775 ], [ 1.0353913077006822, 2.0359036746315886, 7.223069632500001 ], [ 1.2091...
[ true, true, true ]
La2O18V6
LaO9V3
A9B3C
[ "La", "O", "V" ]
[ 0.07692307692307693, 0.6923076923076923, 0.23076923076923078 ]
[ 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 23, 23, 23, 23, 23, 23, 57, 57 ]
26
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_30226", "megnet_17060" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7633/MD_8160488258671555468467633.json
null
{"desc": [4106.99, 2504.4930666666664, 5.016666666666667, -52.59212333333334, 0.0, 59.968410000000006, 4.666666666666667, 1270.5587791, 38.037491574664806, -1135.2666666666667, 25.9554, 2.0677266666666667, 11.915666666666667, 0.0, -6.342193333333333, 741.2963707732514, 2.855333333333333, 2520.4233333333336, 0.0, 48.766...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000996561128659910966438
10009965611286599109664388424952700016473106603334831638324284541888649093773701938033479276999362634497449090436973204330307967686701089051429856145395639
2025-04-16T16:03:49
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-2.766516
null
null
null
null
null
CO_3068735628181579856430334
3068735628181579856430334904802073897125311824539982162493498873694448209615614343645734539589150280271570442647064685391514804009283439802094994265676993
11225614094688264145834388912479543941221823122954722545322705114200295930348089440167054223854873182881326681557429981289820531731602668563430815560018050
[ [ 4.23316715, 0, 0 ], [ 0, 5.80146141, -0.43922629 ], [ 0, -0.00617735, 19.31076984 ] ]
[ [ 1.0582917875, 3.8066496768343026, 2.192151636691369 ], [ 3.1748753625, 1.9886343831656974, 16.67939191330863 ], [ 1.0582917875, 2.6680521679248264, 6.138886219769975 ], [ 3.1748753625, 3.1272318920751734, 12.732657330230023 ], [ 1.0582917875, ...
[ true, true, true ]
Ca10Cu10
CaCu
AB
[ "Ca", "Cu" ]
[ 0.5, 0.5 ]
[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]
20
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_28855", "megnet_15691" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4353/MD_7821565903899080284604353.json
null
{"desc": [3741.3, 2478.6107, 7.246200000000001, -35.157000000000004, 0.0, 44.89223, 4.0, 750.92783, 0.045, -1224.385, 27.311249999970002, 1.13665, 31.24, 0.0, -288.0, 4.4847125000000005, 2.05385, 2495.155, 0.0, 65.8, 102.25, 69.85, 0.0, 0.0, 0.0, 65.8, 69.85, 102.25, 1235.78115, 0.7145500000000001, -6.31592, 283.345, -...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000928877441413944850960
10009288774414139448509603461218418335472671066572401936657433681177495513103955445029862564636826719045679495177714558334052485912627034838140431215993151
2025-04-16T21:38:17
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-20.242407
null
null
null
null
null
CO_5870391939450329839657246
5870391939450329839657246164134654180191906466169390772766762585518559908593343591972869160424193293375331124752064512324649130565799329605237309663339535
6539563034750112650413000357304034850281075808555139128857198033020912103584451696869274527934506050044191359919481348605200315449775798347679133965835216
[ [ 7.84000066, 0, -2.77185881 ], [ -3.92000033, 6.78963973, -2.77185881 ], [ 0, 0, 8.31557644 ] ]
[ [ 2.551762121216691, 4.419781638059689, 1.8043683027537887 ], [ 0.7764762525666178, 3.394819865, -2.353419918755807 ], [ 3.92000033, 0, 1.5165421397578251 ], [ -1.368238208783309, 2.369858091940311, 3.190297706244192 ], [ 3.92000033, 0, 5.6...
[ true, true, true ]
Pr6Te8
Pr3Te4
A4B3
[ "Pr", "Te" ]
[ 0.42857142857142855, 0.5714285714285714 ]
[ 52, 52, 52, 52, 52, 52, 52, 52, 59, 59, 59, 59, 59, 59 ]
14
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_22959", "megnet_9832" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8136/MD_1228798911822329807468136.json
null
{"desc": [4178.475, 2412.1213500000003, 7.755, -113.62382499999998, 0.0, 127.01252499999998, 6.5, 2770.7875599999998, 1.294871794871795, -956.8299999999999, 29.935000000000002, 2.2796000000000003, 19.403, 5.5, 0.5, 166.90487179487178, 2.816, 2432.63, 0.0, 21.45, 48.150000000000006, 18.0, 0.0, -6.6, 0.0, 21.45, 18.0, 48...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000929505416950911180791
10009295054169509111807919859185354181024867058062804363895154940896956044231987591474455991686475913661944819342744361319565260051126157484497666433243027
2025-04-16T18:12:40
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-28.202615
null
null
null
null
null
CO_1206415301628324878078078
12064153016283248780780787379230877406636212201704590258614068558194423081738480869596806870994050373156933566598665686255504913622955246129880689632310685
631810761016555690187373238799674002507243572246957655449273292082053006787559833896417829508210555835135278027363012153910892259450403900406930009977979
[ [ 4.96160095, -0.03899784, 2.72118691 ], [ 1.5933847, 4.69894943, 2.7211869 ], [ -0.05485669, -0.03899781, 5.65856303 ] ]
[ [ 4.876791368621162, 3.466920063859984, 8.328596755243558 ], [ 1.6233375913788384, 1.1540337161400163, 2.7723400847564434 ], [ 3.2500644800000003, 2.31047689, 5.55046842 ], [ 0, 0, 0 ], [ 2.8805259418397697, 3.5260074202937473, 3.8430953733...
[ true, true, true ]
La2O6WZn
La2O6WZn
A6B2CD
[ "La", "O", "W", "Zn" ]
[ 0.2, 0.6, 0.1, 0.1 ]
[ 57, 57, 30, 74, 8, 8, 8, 8, 8, 8 ]
10
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_80120", "megnet_65130" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6173/MD_7881581133239848958186173.json
null
{"desc": [4203.4425, 2710.464495, 4.4624999999999995, -86.44346750000001, 0.0, 91.92517275, 5.0, 1431.9885743250002, 28.483012735394556, -1400.1200000000001, 20.990925000011252, 1.8083399999999998, 47.515, 0.0, -67.00664499999999, 545.2443462330061, 2.8065, 2724.895, 0.0, 61.95, 175.45, 65.60000000000001, 0.0, -0.35, 0...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001069628844783339556324
10010696288447833395563240790459732614158391949080366257420502489808699055681025796260474020024240326283863046002431457185741280807499153574419305327674425
2025-04-16T18:36:30
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.9706
unknown
-94.104691
null
null
null
null
null
CO_8160446287295921634571104
8160446287295921634571104714870805574641911142636604988819655732919311001943031475491510164326127042173468742552448996015555515846538510781380497508208614
1420332806896139743809813860419995487506019490976133559438981279072801017825293893199902554129254690198866601402772994609851020562671084271403274633777028
[ [ 2.58572479, 4.47891595, -0.00002718 ], [ -2.58611504, 4.47886514, -0.000007 ], [ 0.00022944, 0.00000601, 13.93739073 ] ]
[ [ -0.00031081989351211124, 5.971792008923228, 2.4867242383070547 ], [ -0.0002078002498893015, 2.985886534751216, 0.26474146958815775 ], [ -0.00020821846442221374, 5.9718495004311585, 6.7040546300856745 ], [ -0.0002154743712080443, 2.9858745578689865, 4.482...
[ true, true, true ]
F18Li8V4
F9Li4V2
A9B4C2
[ "F", "Li", "V" ]
[ 0.6, 0.26666666666666666, 0.13333333333333333 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 23, 23, 23, 23, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
30
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_72033", "megnet_57394" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4918/MD_6096701797542186220294918.json
null
{"desc": [2450.755, 1793.4258499999999, 7.5, -14.780301066666667, 0.3333333333333333, 15.773398066666667, 2.6666666666666665, 242.32907194666666, 42.26467277256774, -888.9066666666668, 17.43475, 4.821086666666667, 13.084333333333333, 0.0, -30.842566666666666, 669.4159529932388, 3.6573333333333333, 1804.1899999999998, 0...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001082957405753766099265
10010829574057537660992654748227158443532142529465011623369647275374404348245978011092029900760035375496637562611659089141161129389105307624849780975904625
2025-04-16T17:42:15
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-4.698636
null
null
null
null
null
CO_4885692454289721371149171
4885692454289721371149171590992334609853540482750142364356921136860094445313478472299362562667732484385771216058887007174593249438314119163680300291002336
5715637821591684788146301553087783562727341229136486998581804229757108812085033962484637189055404178012979424281952507781256429928911112820902638213165112
[ [ 4.20156367, 0, 0 ], [ 0, 4.20156367, 0 ], [ 0, 0, 4.20156367 ] ]
[ [ 2.100781835, 2.100781835, 2.100781835 ], [ 0, 2.100781835, 2.100781835 ], [ 2.100781835, 2.100781835, 0 ], [ 2.100781835, 0, 2.100781835 ], [ 0, 0, 0 ] ]
[ true, true, true ]
InNTi3
InNTi3
A3BC
[ "In", "N", "Ti" ]
[ 0.2, 0.2, 0.6 ]
[ 7, 22, 22, 22, 49 ]
5
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_22927", "megnet_9800", "matbench_mp_gap_58751", "matbench_mp_e_form_55484" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0653/MD_8739457974901121006350653.json
null
{"materials-project-version": "2019.7.30", "volume": 74.17078022802801, "hash": "8739457974901121006350653534515870894125808104654744650637713655604823166506298367107830910036148285321854794076389160513381121945307555701501908848307521", "id": "MD_8739457974901121006350653"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001135708384007511712154
10011357083840075117121546490670999886054947613329656048530227328210852895809183402712592121603030752374463061963945188865933933858717706270132618962359661
2025-04-16T17:26:05
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-96.483694
null
null
null
null
null
CO_5465581024361071581396131
5465581024361071581396131118508623826242107415637971337450897847163204578778597067678466780567423659610953465037973685304309529296732778378776768945908373
4300433902136325188506385881703010575419576490035985986751566663217178344093448326891812136327736225986116790691588398850044140275827476133621706518177275
[ [ 4.87338715, -0.02777902, -0.02125692 ], [ -0.03103687, 5.86299817, 0.03740659 ], [ -0.06716685, 0.10405956, 15.90429952 ] ]
[ [ 0.04613824209415241, 1.0701731475617386, 6.707750028475226 ], [ 4.802938552107713, 5.014200500465146, 3.9355519972188016 ], [ 4.672889744620121, 0.9774622360141447, 1.3030308800380555 ], [ 0.149631214750967, 1.127327426476375, 11.90262821241029 ], [ ...
[ true, true, true ]
F19Mn12O5
F19Mn12O5
A19B12C5
[ "F", "Mn", "O" ]
[ 0.5277777777777778, 0.3333333333333333, 0.1388888888888889 ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
36
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_69471", "megnet_55124" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7227/MD_9423212719937147594667227.json
null
{"desc": [1121.4116666666666, 836.4546166666668, 5.236666666666667, -18.008616066666665, 0.3333333333333333, 17.1536594, 2.6666666666666665, 298.10877686333333, 80.10566088631765, -537.426091954023, 4.6399, 5.9682666666666675, 34.446666666666665, 0.0, 2.3991480459770114, 1396.3116970615483, 4.553333333333334, 848.38, 0...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001124611669424242769130
10011246116694242427691300521296657713978553804447154332110593283685216720143565094753640196464862888965715040519246021133011284810333596497085969643369548
2025-04-16T18:44:30
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.4128
unknown
-304.07152
null
null
null
null
null
CO_7313104465449593401418349
7313104465449593401418349694214102640295172624012738907525712114514788234375162450975405053195615538901042480802375767964664779913169070419293752924536782
2472601719203457119348967012484790931786774719538266742534246761763731604915144260563859902711921980785774024160011490883412673541344918573769834819228116
[ [ 7.09282157, 8.44385623, 0 ], [ -7.09282157, 8.44385623, 0 ], [ 0, 0, 10.19935585 ] ]
[ [ -3.7497497797587993, 8.44385623, 0 ], [ -3.5464107849999995, 12.280536275417367, 2.5498389625 ], [ -3.5464107850000004, 4.607176184582632, 7.6495168875 ], [ -3.3430717902412006, 8.44385623, 5.099677925 ], [ 4.696560279710304e-18, 1.0493453717...
[ true, true, true ]
Li12O60Si24V4
Li3O15Si6V
A15B6C3D
[ "Li", "O", "Si", "V" ]
[ 0.12, 0.6, 0.24, 0.04 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 23, 23, 23, 23, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, ...
100
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_56786", "megnet_42461" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5219/MD_1282890115073085615355219.json
null
{"desc": [2713.5425, 2139.737325, 5.4825, -12.80185, 0.0, 17.01494025, 2.75, 282.6664535, 28.33509454826859, -1087.6225000000002, 14.6474875, 2.199415, 26.38175, 0.0, -59.506645, 537.1760194072386, 2.9495, 2152.24, 0.0, 54.3, 113.45, 56.475, 0.0, -0.35, 0.0, 54.25, 56.475, 113.72500000000001, 1093.6605000000002, 1.1493...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001164152819633610319997
10011641528196336103199978413832761244478801356446837976031784041236861480742612927325093162686973983821490302735655464717912783910537440293928174859057656
2025-04-16T21:44:51
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-25.636678
null
null
null
null
null
CO_5999265991199118470631229
5999265991199118470631229618172920475648436741195774046238952205767409367922066580695392439817657691324657185875532403574544386174291468007900645651272998
11140211902599459335289978700970593427287035589643016869460086707555782443920169952981011041637990273769335111887824015971347543831998003806104602576637388
[ [ 8.94658788, 0, 0 ], [ -4.47329394, 7.74797238, 0 ], [ 0, 0, 6.94735417 ] ]
[ [ -2.5023342823346932, 6.610038291271561, 3.7476125104468503 ], [ 1.9709596576653066, 1.1379340887284395, 0.2739354254468506 ], [ 4.47329394, 5.472104202543122, 0.2739354254468506 ], [ 9.899071320193684e-17, 2.275868177456879, 3.7476125104468503 ], [ ...
[ true, true, true ]
Fe2Na12S8
FeNa6S4
A6B4C
[ "Fe", "Na", "S" ]
[ 0.09090909090909091, 0.5454545454545454, 0.36363636363636365 ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 16, 16, 16, 16, 16, 16, 16, 16, 26, 26 ]
22
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_74467", "megnet_59733" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2593/MD_5778587621708970355512593.json
null
{"desc": [2395.423333333333, 1669.3504366666668, 5.3020000000000005, -21.499923093333333, 0.0, 29.166094426666664, 3.3333333333333335, 480.2024044928, 6.574303135888502, -848.0766666666667, 19.352666666666668, 1.97945, 35.169000000000004, 0.0, -64.735, 639.9085319396053, 2.6750000000000003, 1684.756666666667, 0.0, 53.6...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001104005932893681435022
10011040059328936814350225037555635771666950751009554757444445822510155619240329001424109384507730883978683711941231333840870201386020152933883066238111370
2025-04-16T21:52:07
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.9
unknown
-119.65901
null
null
null
null
null
CO_1597123515854870347557312
1597123515854870347557312657711248472347368206347365009752025850643553200846990912924791208054980226151973133628728949223229830540455847023293588340662320
5823958826360988436097991625772231873620623301872556856129871354942720918859684090546281720646345491044817014030762102363060507562531508997782199532924333
[ [ 6.03974821, 0.02397495, -0.02503872 ], [ 0.0381054, 5.23178814, 0.02033204 ], [ -2.16188685, -0.35017061, 16.10400871 ] ]
[ [ -0.9114064231878065, 4.232000386798812, 9.841022159660824 ], [ 0.7154299236215799, 0.485498660176965, 14.326023793430307 ], [ 0.8505585046090175, 3.358103843453083, 2.271507021629941 ], [ 1.1225923152277195, 1.701858873287647, 5.803284653661302 ], [ ...
[ true, true, true ]
B8Fe2Li8Mn6O24
B4FeLi4Mn3O12
A12B4C4D3E
[ "B", "Fe", "Li", "Mn", "O" ]
[ 0.16666666666666666, 0.041666666666666664, 0.16666666666666666, 0.125, 0.5 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 25, 25, 25, 25, 25, 25, 26, 26, 5, 5, 5, 5, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
48
5
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_68417", "megnet_54070" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5670/MD_1136958129784771930225670.json
null
{"desc": [2724.2140000000004, 2274.8002800000004, 2.6189999999999998, -19.064889, 0.0, 20.378047199999997, 2.8, 243.06347495, 22.87820485784865, -1230.187655172414, 12.65249, 1.253294, 79.25999999999999, 0.0, -32.654971172413795, 474.2838291734335, 2.4539999999999997, 2284.482, 0.0, 84.24, 239.51999999999998, 99.119999...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001118314805108445808395
1001118314805108445808395788259911885546107335805367350185449686033742710972102707416752824673504908498477887467458452777486185392432239064507645800202309
2025-04-16T16:05:52
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.7575
unknown
-35.807303
null
null
null
null
null
CO_3557685125596203373049141
355768512559620337304914116739227514748625498786975624307077348318049231487356432867232017218398367649597258824142595348551301789473300285663412869793447
11861391697743193482257895827861468578529983412092526356596113282835941680397665621114275514944324981452849961327239066324893708716370988775529365648311296
[ [ 5.35680157, -0.0135288, -0.03885618 ], [ 0.22533754, 7.76022713, 2.60710504 ], [ -0.13013555, 0.12200929, 10.10436936 ] ]
[ [ 4.033753866783932, 6.378217087603455, 11.318924439080623 ], [ 1.4182496932160682, 1.4904905323965447, 1.353693780919377 ], [ 1.3014700241003097, 5.016128081545962, 8.67115433806541 ], [ 4.150533535899691, 2.852579538454037, 4.001463881934591 ], [ ...
[ true, true, true ]
I4O16Rb2V2
I2O8RbV
A8B2CD
[ "I", "O", "Rb", "V" ]
[ 0.16666666666666666, 0.6666666666666666, 0.08333333333333333, 0.08333333333333333 ]
[ 37, 37, 23, 23, 53, 53, 53, 53, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
24
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_39735", "megnet_26330" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4998/MD_8985914350529514641004998.json
null
{"desc": [1980.2075, 1297.229175, 7.185, -43.0382925, 0.25, 61.0801355, 4.0, 2182.8125901, 31.124417263761362, -727.2775, 33.835175, 3.47802, 12.196750000000002, 0.0, -15.368895, 749.7721036723248, 3.4717499999999997, 1323.94, 0.0, 37.55, 78.425, 40.625, 0.0, -0.35, 0.0, 43.35, 40.625, 80.4, 732.94325, 1.41342500000000...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001191562710863685908232
10011915627108636859082323545113732873771869977523008480873942164803786608724562596114605869499915684474312502482758713991967719375064201582769586414876072
2025-04-16T20:37:32
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-20.038958
null
null
null
null
null
CO_5920736131238949643697887
5920736131238949643697887891338839225740643215050376180289382900699304637989238370704610586128842975419937324356229267720744058011266938060117462996187539
4176533908047018966979961220480819465686256452233193589416354659897906859275586413670931891753893543518368630206718798013490218009909878479166979274959167
[ [ 2.94611232, -0.00381312, 0.6004013 ], [ 1.19266467, 8.23855025, 1.65297152 ], [ 0.07300687, 1.30491395, 7.10555786 ] ]
[ [ 1.2299278908453795, 1.442430812938312, 1.535516090495208 ], [ 2.964555495912807, 7.954636939664703, 8.03147967937257 ], [ 2.0347747407927668, 2.4184059327620187, 5.1028380493961984 ], [ 1.0621287514929125, 4.334136196684719, 2.3496616768049705 ], [ ...
[ true, true, true ]
Ca2Cu4O8
CaCu2O4
A4B2C
[ "Ca", "Cu", "O" ]
[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]
[ 20, 20, 29, 29, 29, 29, 8, 8, 8, 8, 8, 8, 8, 8 ]
14
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_82508", "megnet_67510" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4534/MD_1223976653996730486434534.json
null
{"desc": [2512.2400000000002, 1682.4745333333333, 6.2408, -22.984466666666666, 0.0, 30.721936666666664, 3.3333333333333335, 593.201748, 37.65227238525207, -833.5233333333334, 18.36789999998, 2.3745666666666665, 23.522333333333332, 0.0, -191.00886, 690.2233172372711, 2.9858999999999996, 1699.2900000000002, 0.0, 45.43333...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001242188930398688248825
1001242188930398688248825323806178930317118276264736099246233382148711868230275497865836197532187939466539419130467981828129087474178457486776748313045848
2025-04-16T21:56:50
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.4111
unknown
-144.443998
null
null
null
null
null
CO_5920491704424284882967526
5920491704424284882967526684964113085394505313549571961439818356355277610124433564905160690309825771580182910434845886754365556818345481184638991322314055
1279485447850540327643034231401382553936952329290777548145505969987710877966784103237748117635679764813962116494717751492984941559911704605734995938005400
[ [ 6.47831801, -0.21508084, 0 ], [ -2.109618, 11.61008049, 0 ], [ 0, 0, 14.52070781 ] ]
[ [ -1.321536858115174, 8.924087387009607, 7.445558272762645 ], [ 0.05120978963969093, 10.536284404045297, 12.857047663904115 ], [ 3.262681220360309, 6.663755490954703, 5.596693758904116 ], [ 4.317490220360309, 0.8587152459547023, 1.6636601460958835 ], [...
[ true, true, true ]
Co8Cr16O56Zn8
CoCr2O7Zn
A7B2CD
[ "Co", "Cr", "O", "Zn" ]
[ 0.09090909090909091, 0.18181818181818182, 0.6363636363636364, 0.09090909090909091 ]
[ 30, 30, 30, 30, 30, 30, 30, 30, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 27, 27, 27, 27, 27, 27, 27, 27, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, ...
88
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_82656", "megnet_67658" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4395/MD_9379933986477159541094395.json
null
{"desc": [2522.18, 1853.66122, 4.576, -37.97942375, 0.0, 38.6694815, 3.5, 411.47805941250004, 28.294133366953236, -1165.1200000000001, 8.67467500001125, 1.778835, 67.23675, 0.0, -69.756645, 527.0860873517122, 2.83, 1863.6550000000002, 0.0, 81.975, 263.825, 85.85, 0.0, -0.35, 0.0, 81.925, 85.85, 264.09999999999997, 1173...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001266219027219672559858
10012662190272196725598586435747193089356357631249005398144766903437422604192491238113098997060350138069560867137344037552312724036638254312678991334469604
2025-04-16T17:41:42
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-2.016453
null
null
null
null
null
CO_1293261401704819739275964
12932614017048197392759644054826975672599135525654851561845458526450892319132849895437063527322389557623883601271481421952175617160310554077495967084911591
11248450822185416521990439181915873811837436197323719301516787501743138325906485787885024410331841376844855544446637137271547073887038012977719433990529889
[ [ 0, 3.21614563, 3.21614563 ], [ 3.21614563, 0, 3.21614563 ], [ 3.21614563, 3.21614563, 0 ] ]
[ [ 1.608072815, 1.608072815, 1.608072815 ], [ 4.82422487729126, 4.82422487729126, 4.82422487729126 ], [ 0, 0, 0 ], [ 3.2161520622912603, 3.2161520622912603, 3.2161520622912603 ] ]
[ true, true, true ]
Ru2ScSn
Ru2ScSn
A2BC
[ "Ru", "Sc", "Sn" ]
[ 0.5, 0.25, 0.25 ]
[ 21, 50, 44, 44 ]
4
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_73764", "megnet_59117", "matbench_mp_gap_85111", "matbench_mp_e_form_37853" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4339/MD_2534971073319011982174339.json
null
{"materials-project-version": "2019.7.30", "volume": 66.5330010071973, "hash": "2534971073319011982174339748987077204548103935633902172609280455221927524573741019393183513764085791021371454699539938679342051112295301177864247882797637", "id": "MD_2534971073319011982174339"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001210697809146637844261
10012106978091466378442611285497273906752428265010712062085293836309414044723396647155144837406458810037359574155749439032150124118189544215179908556333985
2025-04-17T18:26:41
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.3211
unknown
-15.755986
null
null
null
null
null
CO_1538385710459311952813326
1538385710459311952813326142124314524769832707477307393567544331330533881679751375227129481742573999862315854491659752643476024791256056281242453254180124
7300655964431759220110066249600633604644777974927450038196662937429695939885057722027582805925593764132271413711855280124272892842994665243767405512595770
[ [ 4.65808942, 0, 0 ], [ 0, 7.34462347, 0 ], [ 0, 0, 17.68074902 ] ]
[ [ 3.4935670649999997, 1.9938338430194604, 16.737742027638536 ], [ 1.164522355, 1.6784778919805396, 7.897367517638536 ], [ 1.164522355, 0.2591136154625792, 4.027228541458225 ], [ 3.4935670649999997, 3.413198119537421, 12.867603051458225 ], [ 3.49356...
[ true, true, true ]
Ca8Cd4Sb8
Ca2CdSb2
A2B2C
[ "Ca", "Cd", "Sb" ]
[ 0.4, 0.2, 0.4 ]
[ 20, 20, 20, 20, 20, 20, 20, 20, 48, 48, 48, 48, 51, 51, 51, 51, 51, 51, 51, 51 ]
20
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_41370", "megnet_27901", "matbench_mp_gap_98777", "matbench_mp_e_form_50676" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/3431/MD_3902101391979001329053431.json
null
{"materials-project-version": "2019.7.30", "volume": 604.8922451163803, "hash": "3902101391979001329053431698139733433192169609517153925112701749945207142275885595246556610487981884758656541641478344478106782242033778066144213622902109", "id": "MD_3902101391979001329053431"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001345174326716152851176
10013451743267161528511760721948732990008391500060235138490537447167023775704125922232826516118211931495727020341940875159713461156690899845806983699571675
2025-04-16T17:17:43
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.1263
unknown
-67.518016
null
null
null
null
null
CO_9535778135126022378053438
9535778135126022378053438809866416284787654739087238307566498080377940040355608535976417129711912791932925619117329442767845650323407155923977553676301558
11791531249226070455172929850727791011998342327554356883972677111193134865495856228036953974120819394926759994737467137244233618425353250265390625846015203
[ [ 4.81555841, -0.00226835, -6.43972916 ], [ 4.81329007, 4.81329007, 0 ], [ 4.81747631, -4.81747631, 3.21960507 ] ]
[ [ 0, 0, 0 ], [ 2.408738155, -2.408738155, 1.609802535 ], [ 4.81994074339567, -0.006655492730377888, -3.2528711025259875 ], [ 4.821151510967506, -0.00785658155831222, -0.00736369820789143 ], [ 7.220604743072201, 2.40598020219034, -4.85302981...
[ true, true, true ]
O20Sn9Ti
O20Sn9Ti
A20B9C
[ "O", "Sn", "Ti" ]
[ 0.6666666666666666, 0.3, 0.03333333333333333 ]
[ 22, 50, 50, 50, 50, 50, 50, 50, 50, 50, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
30
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_60507", "megnet_46182" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5388/MD_1121548187610060283365388.json
null
{"desc": [3068.956666666667, 2175.1384, 3.4263333333333335, -46.09546666666666, 0.0, 51.595436666666664, 3.6666666666666665, 906.9467880000001, 37.78351164350625, -827.96, 10.386066666666666, 2.3568399999999996, 28.242333333333335, 0.0, -24.00886, 719.1554356339243, 3.1663333333333328, 2189.8300000000004, 0.0, 30.20000...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001317632210787235809757
10013176322107872358097570807806712477208212754451837668578468211844427140679957950518274015242781899222944333995942536425620501460431030130521453797285351
2025-04-16T21:13:40
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.7561
unknown
-118.392509
null
null
null
null
null
CO_1005388770693709090739741
10053887706937090907397417564033559289330116040274281066694143495740952750988538815571299287985457504551102536800813593947270455135530868467665392738251745
11475623470889304614840205363121225863658526676161155660032053030253045849939934645333560073758140510316184377578607241276869253661823535766235433131096219
[ [ 5.32165987, -0.00184443, 1.13286679 ], [ 1.89187971, 6.12232838, 0.89500145 ], [ 0.04970825, 0.0011249, 17.12855015 ] ]
[ [ 0.8195222094453912, 1.1489224474074142, 0.3597113495322452 ], [ 3.1072796946993164, 4.2610990324697475, 2.8855310496514917 ], [ 4.155968135300684, 1.860509817530252, 16.27088734034851 ], [ 6.443725620554608, 4.972686402592585, 18.79670704046775 ], [ ...
[ true, true, true ]
Cr6Li4O28P8
Cr3Li2O14P4
A14B4C3D2
[ "Cr", "Li", "O", "P" ]
[ 0.13043478260869565, 0.08695652173913043, 0.6086956521739131, 0.17391304347826086 ]
[ 3, 3, 3, 3, 24, 24, 24, 24, 24, 24, 15, 15, 15, 15, 15, 15, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
46
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_51157", "megnet_36999" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5890/MD_1283226862504524238245890.json
null
{"desc": [1766.8674999999998, 1299.9069, 5.055, -12.8200655, 0.0, 17.41182325, 2.75, 317.80665906, 33.56932196781731, -744.4475000000001, 13.909237500000001, 2.019665, 42.2485, 0.0, -37.815644999999996, 858.6802677272523, 2.90975, 1313.4575000000002, 0.0, 41.4, 144.575, 45.45, 0.0, -0.35, 0.0, 51.175000000000004, 45.45...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001347493683911148436699
10013474936839111484366996068298721429205496188399296530831187736940659785787107351760927134046904492533858144881945369919956320901150037976367504630239573
2025-04-16T16:32:07
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
3.1961
unknown
-59.351745
null
null
null
null
null
CO_5099324057369562074916715
5099324057369562074916715829362674531438919221397639173185615909164986245701961943254213846615499940629825323739310130897780809910216815653739381348836583
51641442761559187546745060804541123652621944709348676186752315980248357968080829952385079846857956839863279179859688114788263297823360212097398216603261
[ [ 9.17599397, 0, 0.00005398 ], [ 0, 7.00416387, 0 ], [ -0.01506021, 0, 5.25514642 ] ]
[ [ 0.753475862961701, 1.7510409675, 3.9918563396708753 ], [ 2.3720210990325916, 0.0199274065432596, 1.294875274565712 ], [ 2.3720210990325916, 3.4821545284567406, 1.294875274565712 ], [ 6.788912660967409, 3.52200934154326, 3.960325125434288 ], [ 6.7...
[ true, true, true ]
C2Cd2Na6O14P2
CCdNa3O7P
A7B3CDE
[ "C", "Cd", "Na", "O", "P" ]
[ 0.07692307692307693, 0.07692307692307693, 0.23076923076923078, 0.5384615384615384, 0.07692307692307693 ]
[ 11, 11, 11, 11, 11, 11, 48, 48, 15, 15, 6, 6, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
26
5
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_61219", "megnet_46894" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1604/MD_3257139196963471181221604.json
null
{"desc": [1461.384, 1427.52994, 3.7566, -23.586926255999998, 0.0, 28.977339056000005, 3.0, 575.2998659436801, 26.852698694874068, -1020.8380000000001, 12.00484, 2.1685380000000003, 52.6896, 0.0, -68.85251600000001, 688.4219920176829, 2.9994, 1442.5300000000002, 0.0, 6.82, 239.23999999999995, 54.919999999999995, 0.0, -0...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001349789273748138004323
10013497892737481380043232449793683248133897569772158785850382844113789533140538764221086151158168550424192991835741401543795915202282892574173135045307813
2025-04-16T17:52:39
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.3649
unknown
-12.411799
null
null
null
null
null
CO_1317203584077057434778484
13172035840770574347784846641018711587603425966636779774790652250132493648248158729426272285776901484537662513645731005422179334627157529281497060739415210
9256977074119010982861327698163558945477447159032782501023604393927545129569885502766968983450235225942686966730099413381721880041854733805346347430466759
[ [ 4.33262102, 0, 0 ], [ -2.16631051, 3.75216017, 0 ], [ 0, 0, 51.82098565 ] ]
[ [ 0, 0, 46.26764206201325 ], [ 0, 0, 16.65443513392974 ], [ 2.1663126763105103, 1.25071880594661, 24.059692849053977 ], [ 0, 0, 31.4635223778137 ], [ 0, 0, 9.255891345706319 ], [ 2.1663126763105103, 1.25071880594661, 1.85090...
[ true, true, true ]
Cd7I14
CdI2
A2B
[ "Cd", "I" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 48, 48, 48, 48, 48, 48, 48, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]
21
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_42346", "megnet_28851" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9392/MD_8081299538752321032259392.json
null
{"desc": [1126.1799999999998, 748.76985, 7.38, -100.297735, 0.5, 109.935195, 5.0, 2362.6629842, 5.619475122264826, -483.035, 9.1905, 3.9261600000000003, 7.970000000000001, 0.0, -41.2245, 433.8536355704544, 3.651, 768.06, 0.0, 17.0, 38.849999999999994, 30.35, 0.0, 0.0, 0.0, 28.700000000000003, 30.35, 42.25, 489.059, 1.5...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001390339707720303905366
10013903397077203039053666015535212983683334104969253033317030117859761436703154886324410629574111901769613011356275614275243775943873783863087846747346477
2025-04-16T16:26:23
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.0032
unknown
-4.170284
null
null
null
null
null
CO_5180542466673838354303990
5180542466673838354303990750118135329418906752196145734817902949382993317633943054681809905546772945264578643916379317891575815828592504437963484142033786
6443940811664427787886964461583792961830762098512243660225322971262232050605960582700952251451642005631665686085903435254055887234630942888917415952586502
[ [ 4.90232444, 0, 1.72725046 ], [ 2.45116228, 7.35869452, 0.86362507 ], [ 0.00579476, 1.7e-7, 7.80412687 ] ]
[ [ 1.594508147934724, 1.9513847007485212, 3.03117671886358 ], [ 3.1881108674237866, 2.3290448957138894, 6.8563983058445555 ], [ 4.336549301978504, 5.02964979428611, 3.59687245661093 ], [ 5.599394642662986, 5.4073099892514795, 7.305557318680934 ], [ ...
[ true, true, true ]
Ge4Ta12
GeTa3
A3B
[ "Ge", "Ta" ]
[ 0.25, 0.75 ]
[ 32, 32, 32, 32, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]
16
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_20099", "megnet_6989" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2820/MD_7961285676322949472392820.json
null
{"desc": [6088.099999999999, 4412.36755, 4.5249999999999995, -114.55394, 0.0, 119.06944000000001, 5.0, 1476.683849, 0.1293859649122807, -2243.2, 13.147499999999999, 1.4284499999999998, 51.05, 0.0, -51.0, 38.95464912280702, 2.505, 4424.24, 0.0, 100.05000000000001, 184.89999999999998, 100.05000000000001, 0.0, 0.0, 0.0, 1...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001395510568957927353344
10013955105689579273533447335339537837903293064617484633352253825435987116923708547872970520517685340647402618904282236967318023249044886667408882822049676
2025-04-16T18:54:22
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-2.360392
null
null
null
null
null
CO_7415220072333038986712056
7415220072333038986712056565914106317286934175936983621973292655321098145527270545350983908563253596466322649102168080230543328484664634263515337837701347
5342441701431034701791049869918650738088298442050008827947450986805126183636978769862915817349103230186459148120473074722016000619995618663091217449595842
[ [ 0, 3.75625486, 3.75625486 ], [ 3.75625486, 0, 3.75625486 ], [ 3.75625486, 3.75625486, 0 ] ]
[ [ 1.8781199174902798, 1.8781199174902798, 1.8781199174902798 ], [ 5.63438229, 5.63438229, 5.63438229 ], [ 3.75625486, 3.75625486, 3.75625486 ], [ 0, 0, 0 ] ]
[ true, true, true ]
AcAu2Tl
AcAu2Tl
A2BC
[ "Ac", "Au", "Tl" ]
[ 0.25, 0.5, 0.25 ]
[ 89, 81, 79, 79 ]
4
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_73075", "megnet_58433", "matbench_mp_gap_83019", "matbench_mp_e_form_41836" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7170/MD_6939342556862922420907170.json
null
{"materials-project-version": "2019.7.30", "volume": 105.99738457557763, "hash": "6939342556862922420907170691999898291750645104720639261148648388606595130583202251373158403536937280163213034827701949420074671767402739520426256836834409", "id": "MD_6939342556862922420907170"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001482646899898556156181
10014826468998985561561813452299650469539583298557150884667160772954063512327315965756888343232159681178063754110857512315611561401517882790536772938538117
2025-04-16T17:41:42
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.9607
unknown
-25.281069
null
null
null
null
null
CO_7594502633076993205844803
7594502633076993205844803015335205562916936296595646876088179895249005878993010375935767280952380338887936935675691983241575149187158802350226865606254634
9227925929523451919810025275633566896846710570939761929713741898986748296943444765553380283130900573368910081415113341289988549384410172482982206559923388
[ [ 4.79297806, 0, 0 ], [ 0, 5.31340743, 0 ], [ 0, 0, 5.83084992 ] ]
[ [ 3.4996668382306853, 0.4157262575965557, 2.291307868953466 ], [ 1.1031778082306853, 4.897681172403445, 0.6241170910465345 ], [ 3.689800251769315, 3.0724299725965554, 0.6241170910465345 ], [ 1.2933112217693148, 2.240977457403444, 2.291307868953466 ], [...
[ true, true, true ]
O8Sn4
O2Sn
A2B
[ "O", "Sn" ]
[ 0.6666666666666666, 0.3333333333333333 ]
[ 8, 8, 8, 8, 8, 8, 8, 8, 50, 50, 50, 50 ]
12
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_17852", "megnet_4750", "matbench_mp_gap_49727", "matbench_mp_e_form_88232" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7712/MD_8434965917457541077987712.json
null
{"materials-project-version": "2019.7.30", "volume": 148.4945186759815, "hash": "8434965917457541077987712003580908678424796934569748654203891417979147733906676113877348158984765823764315856291097601441850515490539416650304622849364184", "id": "MD_8434965917457541077987712"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001567144508915638276277
10015671445089156382762776808480590196669650092363900797518562516138388864789016316263105579328830848027083912079364600932475696495092424829357653877586807
2025-04-16T17:54:59
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.4808
unknown
-36.42739
null
null
null
null
null
CO_1175880712500588399160080
11758807125005883991600800073809785213821939529647661385236812514582551064745974197384056797806008244021752633007463127361050754392847086525519741755713185
6109788475024512362438023527769822072853056396487726140712762227709736499813972042014215773939141664338008804488095950260360609597480271118542778863711107
[ [ 5.48285135, 0.06617918, -1.0230284 ], [ -2.1115011, 5.06040032, -1.02303496 ], [ -0.02926601, -0.0445158, 10.06275079 ] ]
[ [ 1.5381801062778178, 4.4066389966113055, 5.907798098364698 ], [ 0.4649755735824053, 2.774495434965085, 0.04991708370052391 ], [ 1.8039041337221824, 0.6754247033886951, 2.1088893316353023 ], [ 3.451250056784966, 3.1804299360689114, 0.8763865490106922 ], ...
[ true, true, true ]
Na8O12Pt4
Na2O3Pt
A3B2C
[ "Na", "O", "Pt" ]
[ 0.3333333333333333, 0.5, 0.16666666666666666 ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 78, 78, 78, 78, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
24
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_38825", "megnet_25540" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2230/MD_5863552517583014490952230.json
null
{"desc": [2555.7400000000002, 1781.4833166666665, 11.734, -61.28105642666666, 0.0, 68.78574776, 3.6666666666666665, 865.9199524928, 37.70639936937905, -813.3566666666667, 17.5514, 3.3407599999999995, 22.458, 0.0, -61.67552666666666, 697.5674586393875, 3.547, 1798.1433333333334, 0.0, 77.43333333333332, 114.6999999999999...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001592890599740938803267
10015928905997409388032677404940196854650837853005679387099303651009999936321312461602631321119256918168911139065841149824147859849961902885804903015978805
2025-04-16T17:07:30
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.9986
unknown
-44.634086
null
null
null
null
null
CO_7737653239310364127038008
7737653239310364127038008917403704084983780816773007299730050294732921921674437384681506808558622675279013282242494327349430289342887679111543443465147554
8754639552713010309850104421029352016384580837300086734363880860804827080155047056668214763912745259550668754277163163054021148795457298308049157293634699
[ [ 5.4084953, 0, 0 ], [ 0, 9.19545811, 0 ], [ 0, 0, 9.81518379 ] ]
[ [ 2.70424765, 8.449243374008581, 8.1743486961486 ], [ 2.70424765, 0.7462147359914197, 3.2667568011485995 ], [ 2.70424765, 5.715509080662083, 1.5713662656927556 ], [ 2.70424765, 3.4799490293379183, 6.478958160692756 ], [ 0, 2.7592014824004676, ...
[ true, true, true ]
N6Na2O18Rb4
N3NaO9Rb2
A9B3C2D
[ "N", "Na", "O", "Rb" ]
[ 0.2, 0.06666666666666667, 0.6, 0.13333333333333333 ]
[ 37, 37, 37, 37, 11, 11, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
30
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_2176", "megnet_1672", "matbench_mp_gap_99133", "matbench_mp_e_form_67859" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7096/MD_1076191836114481795557096.json
null
{"materials-project-version": "2019.7.30", "volume": 488.1443457153698, "hash": "10761918361144817955570962134554262894694076771887125853105091927559247403160025298958637974262092515165592578493778353454168212680931865741610283251698607", "id": "MD_1076191836114481795557096"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001540629306053603085612
10015406293060536030856126254893244185419530286142648139237043995036578898080017284971918781480493608947364918442004344427349573439395287111628178760968661
2025-04-16T21:43:25
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.6815
unknown
-101.103884
null
null
null
null
null
CO_4860836631670660654015337
4860836631670660654015337669054955342624045913800168566473025014234903233248127752421926709594484353234166109067542239982462361730208751272717706722041706
8966114438154831488686490223523024909646603301303047690872025769125539418314644531718651977598624339694865018333127267999626734945439668794018324755433193
[ [ 5.66946005, 7.04389715, 0.14083203 ], [ -5.66946005, 7.04389715, -0.14083203 ], [ -1.73543111, 0, 6.27109291 ] ]
[ [ -6.456768140568308, 7.04389715, 2.920617064554791 ], [ -2.57183019693862, 7.04389715, 3.5548812242177132 ], [ -0.23220271236176668, 5.427036771850711, 3.277397003106188 ], [ -0.2322027123617668, 8.660757528149292, 3.277397003106188 ], [ -2.265212...
[ true, true, true ]
Cr7Li4O24P6
Cr7Li4O24P6
A24B7C6D4
[ "Cr", "Li", "O", "P" ]
[ 0.17073170731707318, 0.0975609756097561, 0.5853658536585366, 0.14634146341463414 ]
[ 3, 3, 3, 3, 24, 24, 24, 24, 24, 24, 24, 15, 15, 15, 15, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
41
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_68895", "megnet_54548" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8365/MD_1587912618746479186368365.json
null
{"desc": [1766.8674999999998, 1299.9069, 5.055, -12.8200655, 0.0, 17.41182325, 2.75, 317.80665906, 33.56932196781731, -744.4475000000001, 13.909237500000001, 2.019665, 42.2485, 0.0, -37.815644999999996, 858.6802677272523, 2.90975, 1313.4575000000002, 0.0, 41.4, 144.575, 45.45, 0.0, -0.35, 0.0, 51.175000000000004, 45.45...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001515936283074654267980
10015159362830746542679804877330839954528412091712664659450736504695603276987378545268680887760431290593631169852592470009754663604467667086527659291251718
2025-04-16T15:44:18
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-1.799945
null
null
null
null
null
CO_6365081886527608349485762
6365081886527608349485762772542541450259454462274701431622637870709844283569944404221310228796082836612965945202293762483110170492127422424244731163587954
2812016287185292103252382221166162355850692154993810737615083998786504194184388086899641094003297739999501639293185991565983688675274521065659850799234620
[ [ 3.06974211, 3.06974211, 0 ], [ 3.06974211, 0, -3.06974211 ], [ 0, 3.06974211, -3.06974211 ] ]
[ [ 3.06974211, 3.06974211, -3.06974211 ], [ 0, 0, 0 ], [ 4.604613165, 4.604613165, -4.604613165 ] ]
[ true, true, true ]
AgKO
AgKO
ABC
[ "Ag", "K", "O" ]
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ 19, 47, 8 ]
3
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_544", "megnet_459", "matbench_mp_e_form_41900" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6375/MD_9948303666313934179576375.json
null
{"materials-project-version": "2019.7.30", "volume": 57.85430370026328, "hash": "9948303666313934179576375620291856557276542315270439126042381543783841023529910297580969637567135440514093240769556445076272507005278347241183255049412321", "id": "MD_9948303666313934179576375"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001510852717098694433318
10015108527170986944333181977255732442092526897349885080537034289761606273230292389211164230648263108195922465850191185491239757983207640989280370025411225
2025-04-16T18:33:43
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.0976
unknown
-19.366369
null
null
null
null
null
CO_8026533485180136729957759
8026533485180136729957759488518265216702405097962910058369224074140401249351046354601460164808222860839532444354407578347463034026930762563279374155209556
10022070403994494222322127708106812971610690057102844358963692724676378564130173484256595420131117472726024304364655708868086038565630106435859174665853916
[ [ 0.00073554, -4.23915558, -4.23881064 ], [ 2.12325232, 4.23916331, -2.1197807 ], [ 6.37025028, -2.12011497, -0.00056719 ] ]
[ [ 0, 0, 0 ], [ 0.00036777, -2.11957779, -2.11940532 ], [ 2.1283667050666346, -2.117516522419254, -4.237402465302325 ], [ 2.1298998952474117, -0.001857299419416217, -2.1210232038250547 ], [ 4.239882367937261, -2.1187482013101224, -2.12342511...
[ true, true, true ]
Ni9O10Zn
Ni9O10Zn
A10B9C
[ "Ni", "O", "Zn" ]
[ 0.45, 0.5, 0.05 ]
[ 30, 28, 28, 28, 28, 28, 28, 28, 28, 28, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
20
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_80407", "megnet_65411" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5133/MD_9194670745106092855875133.json
null
{"desc": [1982.74, 1485.4825599999997, 5.890000000000001, -35.66393333333333, 0.0, 36.48325033333333, 3.3333333333333335, 421.22850999999997, 37.69400620698589, -816.8266666666667, 5.837900000015001, 2.3298666666666663, 44.44666666666666, 0.0, -62.00886, 695.4872903447193, 3.1766666666666663, 1496.4366666666667, 0.0, 7...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001529800103599880418329
10015298001035998804183299763421204007299445271380007668042720282078347635962782339868397811508671519563119583978170486852847366917644642925239035499314172
2025-04-16T21:09:01
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-2.390536
null
null
null
null
null
CO_1276779046416058885171135
12767790464160588851711354161974213969088826201424025476626051312846744618600050478681781365409035622930282977700969672317621601015628221378055137737051852
8318631981210006483330034565444986664870087541249572840075746387075543374543060191088710377678710500663328507430466369204656130079868792614918955999698400
[ [ 4.96431733, -0.01158852, 0 ], [ -0.74933633, 4.90745106, 0 ], [ 0, 0, 8.81915296 ] ]
[ [ -0.1415931424700399, 1.9439641522410762, 6.61436472 ], [ 4.3565741424700395, 2.9518983877589235, 2.20478824 ], [ 1.1171063437287763, 3.3005798822547114, 0 ], [ 3.097874656271224, 1.5952826577452879, 4.40957648 ], [ 3.097874656271224, 1.595282...
[ true, true, true ]
Al12Mn2
Al6Mn
A6B
[ "Al", "Mn" ]
[ 0.8571428571428571, 0.14285714285714285 ]
[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 25, 25 ]
14
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_19884", "megnet_6774" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6291/MD_5999783209662323450166291.json
null
{"bulk-modulus": 103.79814447846807, "desc": [3378.8, 2563.1181, 2.55, -32.2847918, 0.0, 34.2498978, 3.5, 336.805008375, 0.5737193596327859, -1215.9591379310345, 10.83, 0.342125, 53.46, 0.0, -111.12413793103448, 99.3579012547736, 1.7925, 2571.675, 0.0, 131.9, 264.65, 131.9, 0.0, 0.0, 0.0, 131.9, 131.9, 264.65, 1226.022...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001553897179529959164510
10015538971795299591645107414066112605711006920322953658446158312629353548622106442235505340409649814567744320823228409297671177467728323310649632879262988
2025-04-16T19:49:43
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.3097
unknown
-164.568552
null
null
null
null
null
CO_2140677545898447390997791
2140677545898447390997791244545904469524616934920812209165532877364249137542176083781727074649151275591807588003659708797120507028265711451191435256780972
2914471459004763111330714077737468306060191503957679424994502201465099931182041596568759813332643185875211557710615026364822469172632197659738315604254761
[ [ 14.67833554, 0, 0 ], [ 0, 17.20906701, 0 ], [ 0, 0, 5.96075334 ] ]
[ [ 10.208164997277189, 9.132649139397621, 1.5787800911232834 ], [ 11.809338312722812, 8.076417870602377, 4.559156761123284 ], [ 2.8689972272771875, 16.680951375602376, 4.381973248876716 ], [ 4.470170542722813, 0.5281156343976221, 1.4015965788767166 ], [...
[ true, true, true ]
H32Na16O40Sn16
H4Na2O5Sn2
A5B4C2D2
[ "H", "Na", "O", "Sn" ]
[ 0.3076923076923077, 0.15384615384615385, 0.38461538461538464, 0.15384615384615385 ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, ...
104
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_52424", "megnet_38155", "matbench_mp_gap_46015", "matbench_mp_e_form_71585" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9066/MD_9030300694724689021719066.json
null
{"materials-project-version": "2019.7.30", "volume": 1505.6890350530855, "hash": "9030300694724689021719066332657333653995854582769125906502194992063554079494980496684660877448951476479655054718086314494726965610015972432448979987628016", "id": "MD_9030300694724689021719066"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001604209932254747778651
10016042099322547477786511382844922067965998694615617951792647789366097693634969401502633594099449552503663997250889252074558978835766440807189187093494717
2025-04-16T21:37:22
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-13.231275
null
null
null
null
null
CO_1636717339693164521959317
163671733969316452195931751866509261689967461080879034930242734038859944387979553504518279444127762402890164088693810498629239567233784231520070539852015
8124224007248638001873360556448876607502491573442252271670236954141447483469690085100368432465333770887374163693458068822929766938285682127952223667879354
[ [ 5.62612706, 0, -2.74331834 ], [ -1.65080729, 5.82993871, -3.38555371 ], [ -0.00952687, 0.00104687, 7.12128482 ] ]
[ [ 1.7343417795665195, 4.548654721137897, -3.685122106592469 ], [ 0.6209603740605762, 1.0257745333474702, 1.3437861105819973 ], [ -0.17664227298962715, 3.8425627650231666, -0.29197514222094884 ], [ 4.087053997445623, 1.9884228149768335, 1.3113919583330225 ...
[ true, true, true ]
Fe6Si6Ti6
FeSiTi
ABC
[ "Fe", "Si", "Ti" ]
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ 14, 14, 14, 14, 14, 14, 22, 22, 22, 22, 22, 22, 26, 26, 26, 26, 26, 26 ]
18
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_72227", "megnet_57587" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0351/MD_7620009211199660718130351.json
null
{"bulk-modulus": 183.312327765746, "desc": [4287.299999999999, 3289.2605666666664, 2.978, -34.0025, 0.0, 36.3051, 3.6666666666666665, 414.65235333333334, 0.18914141414141414, -1805.0, 12.761000000000001, 0.9809166666666668, 69.55333333333334, 0.0, -76.0, 40.70381313131313, 2.279666666666667, 3298.9300000000003, 0.0, 88...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001618205186872043342639
10016182051868720433426397048667860573460745379513541154213200343384398781296809225511178289250943361099598383966226445724791064703876817667307448416841981
2025-04-16T16:10:07
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.558
unknown
-26.279469
null
null
null
null
null
CO_1327660635852526620498477
13276606358525266204984778110101276371570477904463363545689695154554547079923946936788370132800816863550111928316887792035882794362242586815467189126253071
12862966468875821551108777793261023339811662059418519825954142850124438064784975741720877369787881988020442309261013292775599861330404484208254671919860425
[ [ 7.81081754, -0.00182318, -4.15729781 ], [ -2.28031217, 7.53414485, -4.22417439 ], [ 0.01069837, -0.00272029, 9.4046002 ] ]
[ [ 0.8080132929853584, 2.0979281850177314, 4.93227678632039 ], [ 3.431345714503188, 0.35886713846787, 0.4455986359487292 ], [ 1.134002909471504, 2.6394343024767037, 2.8286643741674937 ], [ 4.665614768742015, 2.131754969975889, 0.047940304681790724 ], [ ...
[ true, true, true ]
La8P16
LaP2
A2B
[ "La", "P" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 57, 57, 57, 57, 57, 57, 57, 57 ]
24
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_26947", "id_prop_274313", "megnet_13796" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9167/MD_2499077769869503836629167.json
null
{"desc": [3924.4249999999997, 2146.6237, 4.68, -65.234616, 0.0, 76.90782100000001, 5.5, 1818.6334512700003, 11.054758800521514, -746.65, 32.1375, 1.0524, 15.2435, 0.0, 1.8820000000000001, 718.1303780964798, 2.245, 2166.205, 0.0, -0.45, 24.05, 3.3, 0.0, 0.0, 0.0, 19.2, 3.3, 89.55, 754.55, 0.7237, -7.431794999999999, -13...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001606520334397626689404
10016065203343976266894046207330669298498423569085768682124132102025725367045062777779277233500533438691773957975586883559747036703077609542002072117230645
2025-04-17T18:06:06
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
3.507
unknown
-81.09087
null
null
null
null
null
CO_4290359803127089681616192
4290359803127089681616192378825561114759235129544537686180315769562698641898415867389946143949975241280924731435821262863140989173232423137960465039952131
2742205120770052640704515494541300056260422838414496707577893611334592435550955565740746598401724440883737096295229712529897465537166300983277394749866785
[ [ 7.92240752, 0, 0 ], [ 0, 7.81864437, -1.33862154 ], [ 0, 0.01309695, 11.61171931 ] ]
[ [ 3.4271980007663108, 5.9664543626478235, 5.983031107956828 ], [ 4.49520951923369, 1.8652869573521766, 4.290066662043172 ], [ 0.5340057592336896, 2.0571321776478233, 6.652341877956828 ], [ 7.38840176076631, 5.774609142352176, 3.620755892043172 ], [ ...
[ true, true, true ]
Cl4F20K4N4W4
ClF5KNW
A5BCDE
[ "Cl", "F", "K", "N", "W" ]
[ 0.1111111111111111, 0.5555555555555556, 0.1111111111111111, 0.1111111111111111, 0.1111111111111111 ]
[ 19, 19, 19, 19, 74, 74, 74, 74, 7, 7, 7, 7, 17, 17, 17, 17, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
36
5
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_39971", "megnet_26553" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0999/MD_1316381937925044054160999.json
null
{"desc": [2094.0218, 1452.41691, 7.67, -38.77128064, 0.4, 46.85343598000001, 3.4, 911.220241168, 138.41896699467284, -857.842, 22.6529, 5.309488, 32.04520000000001, 0.0, -47.91248600000001, 4735.890113827667, 4.294, 1471.8079999999998, 0.0, 43.84, 110.73999999999998, 44.040000000000006, 0.0, 0.3, 0.0, 45.54000000000000...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001639249311714293873416
10016392493117142938734167649850241547958517098022470972324311627083764497717314919956663285532554942556886305216551921109916239388073029099192613499330133
2025-04-16T21:12:08
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.3543
unknown
-14.18524
null
null
null
null
null
CO_9083009666678400344422691
9083009666678400344422691963726015010045040054113759203502103098164739890685000256059296555334954516150882155821416388851584946048095036363173425758931361
4688169438304204401783839139872597606786618401509360256929655103305860461693598591715219254820590091952363193036375690540497775263894238295883283739978628
[ [ 4.33266037, 0, 0 ], [ -2.16633019, 3.75219426, 0 ], [ 0, 0, 59.29958761 ] ]
[ [ 0, 0, 46.32763440948369 ], [ 0, 0, 24.08885815668466 ], [ 0, 0, 53.73857961618778 ], [ 2.16633234966352, 1.25073016926858, 1.855010292611896 ], [ 2.16633234966352, 1.25073016926858, 31.504656441638748 ], [ 0, 0, 9.26404308...
[ true, true, true ]
Cd8I16
CdI2
A2B
[ "Cd", "I" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 48, 48, 48, 48, 48, 48, 48, 48, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]
24
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_42606", "megnet_29103" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4502/MD_2870393168288997971824502.json
null
{"desc": [1126.1799999999998, 748.76985, 7.38, -100.297735, 0.5, 109.935195, 5.0, 2362.6629842, 5.619475122264826, -483.035, 9.1905, 3.9261600000000003, 7.970000000000001, 0.0, -41.2245, 433.8536355704544, 3.651, 768.06, 0.0, 17.0, 38.849999999999994, 30.35, 0.0, 0.0, 0.0, 28.700000000000003, 30.35, 42.25, 489.059, 1.5...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000084502093418536586291
10000845020934185365862911111020220830853688145258264284759718352709161820004864563590596901571796788621977944883611818864365398022372636885104132111078351
2025-04-16T21:57:13
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.8815
unknown
-96.518849
null
null
null
null
null
CO_1089136450778887235349479
10891364507788872353494793478108323466571234399305796800851548824466751187157580808600819408158160131114320462840282933719465950577992159690674773288458351
10459135327076597720290259517083274942439971505694398968450778411566841417314436742604942346899668006586520333781663002686924873080284597300831947816808163
[ [ 5.32244342, 0, 0 ], [ 0, 10.75018288, 0 ], [ 0, 0, 15.26745742 ] ]
[ [ 5.141808099785804, 4.2517894581072815, 9.060111530531017 ], [ 2.8418570302141966, 9.62688089810728, 6.207345889468983 ], [ 0.18063532021419637, 6.498393421892719, 6.207345889468983 ], [ 2.4805863897858034, 1.1233019818927183, 9.060111530531017 ], [ ...
[ true, true, true ]
Bi8Mn8O40Zn8
BiMnO5Zn
A5BCD
[ "Bi", "Mn", "O", "Zn" ]
[ 0.125, 0.125, 0.625, 0.125 ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 30, 30, 30, 30, 30, 30, 30, 30, 83, 83, 83, 83, 83, 83, 83, 83, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8,...
64
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_82676", "megnet_67678", "matbench_mp_e_form_68873" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6579/MD_2615604362934148226026579.json
null
{"materials-project-version": "2019.7.30", "volume": 873.5617774274034, "hash": "2615604362934148226026579774722752625410833281350480535550485083125556932215393677122410775289234906630609593834315252203674081287178865169952556734383650", "id": "MD_2615604362934148226026579"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000069357441808333172148
10000693574418083331721487766647582370459754799744087246923141420005037492107973518480271697775236381650839988254895945963532237841107309590551351719529143
2025-04-16T21:51:46
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
3.7254
unknown
-44.220087
null
null
null
null
null
CO_9727566953184148805392950
9727566953184148805392950702377655809706431428104210383629483665330942805034233984991211317773264541812812638089906500663020129102409369569386462999809031
5301896284629000531440291670742403835752208692224871044674781085670302010795681215378356811684582218951709064685184846253843062872950323987477416613473676
[ [ 8.80936589, 0, 0 ], [ 0, 6.00566981, 0 ], [ 0, 0, 8.73181828 ] ]
[ [ 1.9131765918768582, 2.8963638682269996, 2.2475601583173437 ], [ 2.491506353123142, 2.8963638682269996, 6.6134692983173435 ], [ 6.317859536876859, 3.109305941773, 2.2475601583173437 ], [ 6.896189298123142, 3.109305941773, 6.6134692983173435 ], [ 0...
[ true, true, true ]
F8I4K4O8
F2IKO2
A2B2CD
[ "F", "I", "K", "O" ]
[ 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]
[ 19, 19, 19, 19, 53, 53, 53, 53, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9 ]
24
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_54163", "megnet_39839", "matbench_mp_gap_35947", "matbench_mp_e_form_79654" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0356/MD_1058465400034629648870356.json
null
{"materials-project-version": "2019.7.30", "volume": 461.9668245705078, "hash": "10584654000346296488703564941179305453516999556346539927678755103996575183941661989617879232229857007563763587615880244735082776450082896787471968541491414", "id": "MD_1058465400034629648870356"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000023125433682987824766
10000231254336829878247665975232690041181907462173888227000930323002747725995617278853447753265519485065826091652764404610002060621051081430580870906290912
2025-04-16T16:03:49
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.9621
unknown
-43.05305
null
null
null
null
null
CO_2228375489744938544063191
2228375489744938544063191212783401965365536953872511851982577999220160166108713952489876954934956108543860390403922495946915249062807950232474905253108958
4663748873033687179155627602610023500070614281212624025518386939465768267447418586109194820094945165701626640111580059690267096925642285297089087756619682
[ [ 3.91384682, 3.72060272, 0 ], [ -3.91384682, 3.72060272, 0 ], [ 0, 0, 6.3656338 ] ]
[ [ -1.4834710744009572, 3.72060272, 3.1828169 ], [ 3.8401164630589336e-17, 1.3346669601194305, 4.77422535 ], [ 1.8603467139645887e-16, 6.1065384798805695, 1.59140845 ], [ 1.4834710744009572, 3.72060272, 0 ], [ -1.4019290504298405, 3.72060272, ...
[ true, true, true ]
Li4Mn2O8Si2
Li2MnO4Si
A4B2CD
[ "Li", "Mn", "O", "Si" ]
[ 0.25, 0.125, 0.5, 0.125 ]
[ 3, 3, 3, 3, 25, 25, 14, 14, 8, 8, 8, 8, 8, 8, 8, 8 ]
16
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_69077", "megnet_54730" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8290/MD_8839123760616131297128290.json
null
{"desc": [2288.4425000000006, 1803.21585, 4.2175, -14.04348625, 0.0, 17.842118999999997, 2.75, 277.6567911875, 28.52854310934785, -921.9845689655174, 13.7524875, 1.99322, 42.00675, 0.0, -54.06871396551724, 568.2570781334587, 2.803, 1815.4975000000002, 0.0, 70.3, 155.675, 72.475, 0.0, -0.35, 0.0, 70.25, 72.475, 155.9500...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000092809605330676148442
10000928096053306761484426462490427918925044210835344131342277671096463025580724365651236644957884605924078760987220137734938189063988653963974610421744232
2025-04-16T18:25:21
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-5.298888
null
null
null
null
null
CO_1024500880156903546045520
10245008801569035460455208296308619417178029190077421350312955802917357698902627016214431984451105548517388666803370143190711883007109373133959532464653048
10176415826640711393810941179316062684563982108176984426904155340851154503651832501601054598081363571652949722883033497220010855145721335489683371243843367
[ [ 6.76665265, 0, 3.90672873 ], [ 2.25555088, 6.3796613, 3.90672873 ], [ 0, 0, 7.81345746 ] ]
[ [ 0, 0, 0 ], [ 0, 0, 3.90672873 ], [ 3.383326325, 0, 1.953364365 ], [ 1.12777544, 3.18983065, 1.953364365 ], [ 4.511101765, 3.18983065, 7.81345746 ], [ 4.511101765, 3.18983065, 3.90672873 ], [ 1.12777544, 3.18983...
[ true, true, true ]
Co12Mo12N4
Co3Mo3N
A3B3C
[ "Co", "Mo", "N" ]
[ 0.42857142857142855, 0.42857142857142855, 0.14285714285714285 ]
[ 7, 7, 7, 7, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]
28
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_23560", "megnet_10428" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7591/MD_8438825769268423023707591.json
null
{"desc": [3830.8946666666666, 2729.9667833333333, 5.014666666666667, -46.429965, 0.0, 46.45745166666666, 3.6666666666666665, 494.2174428833334, 38.77865367636205, -1567.3500000000001, 9.799999999999999, 0.9878, 72.60233333333333, 0.0, -71.34194333333333, 826.4915520870178, 2.8353333333333333, 2739.65, 0.0, 100.73333333...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000075911251993327457614
10000759112519933274576149193766079583157563109030083892600859663196451915228096053239781295425192522844902890162904408408379672727819945469527540142607638
2025-04-16T18:52:56
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
1.109866
null
null
null
null
null
CO_3212166638106554973409677
3212166638106554973409677364424094405876546206620137711868381892849980224783688937816457512591721545271272042045751960781595503536525100492341751713529851
2135260397166025200607943071349871385189541317049210495632158426680706506633178240834923366536599000969632019182493083281998671484648832452518231275871034
[ [ -2.31665036, -2.31665036, 0 ], [ -2.31665036, 0, -2.31665036 ], [ 0, -2.31665036, -2.31665036 ] ]
[ [ 0, 0, 0 ], [ -3.47497554, -3.47497554, -3.47497554 ] ]
[ true, true, true ]
CTc
CTc
AB
[ "C", "Tc" ]
[ 0.5, 0.5 ]
[ 43, 6 ]
2
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_693", "megnet_601", "matbench_mp_e_form_2962" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5124/MD_1351918918180724028505124.json
null
{"materials-project-version": "2019.7.30", "volume": 24.866317494444257, "hash": "135191891818072402850512431389665995246407158478782458054678472582738057808066916014857740363996849934118553186335160844802272723397284088802329540210001", "id": "MD_1351918918180724028505124"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000070955774743679632070
10000709557747436796320702155998861377643312916016156544387226921261211163883058701387870447518877941470212063290570976309285338339180570009889988588788235
2025-04-16T17:13:54
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.1396
unknown
-36.350758
null
null
null
null
null
CO_1221035901360232317094545
12210359013602323170945457433989839752114166382287586037785632518041485089000806387323955864314816003008266954304557601996531817282802549377375565027776765
4161707692842569706105026135861041105912160314867048596256862700111931973160924872766197721131308989995282210451970959279022515368491131203866681234179580
[ [ 10.0490848, 0, -5.11379908 ], [ -2.60232067, 9.70628866, -5.11379908 ], [ 0.02409209, 0.0314022, 12.47792979 ] ]
[ [ -0.4760629921334737, 8.772587461061413, -4.048261302965281 ], [ 4.137616444114401, 5.818247728938588, 5.0180421074752735 ], [ 1.0788725264430978, 4.25021958193924, 4.415605528404875 ], [ 0.8128649745057979, 0.6343269480607597, 3.8928762924752727 ], [...
[ true, true, true ]
Ge16S32
GeS2
A2B
[ "Ge", "S" ]
[ 0.3333333333333333, 0.6666666666666666 ]
[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
48
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_44802", "megnet_31023" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0944/MD_8475174768597512426700944.json
null
{"desc": [2292.06, 1905.628305, 6.975, -37.772499999999994, 0.0, 43.22278, 3.5, 744.026325, 9.797764227642276, -795.3800000000001, 5.1, 3.77595, 28.96, 0.0, -25.6025, 957.3145121951221, 3.8899999999999997, 1920.015, 0.0, 21.7, 60.4, 21.75, 0.0, -1.5, 0.0, 21.7, 21.75, 60.4, 798.2850000000001, 1.7883049999999998, -7.534...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000082121528975934163373
1000082121528975934163373474515530893048452793044076090511956172513421593808627520071286413509734760140193811018834146447520108262552365674604405609838697
2025-04-16T17:39:39
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-6.258891
null
null
null
null
null
CO_5938800582915893340745445
5938800582915893340745445129292809576055712505875462392712087035131132723300447990380501714867698551962990920953632951067753951758214601274193143089964586
2117712188926098432271321147820475271045765647750347053119873764340964970271256460748857801945402457545124997012729596976892367724889298690185766061444171
[ [ 5.48508366, 0, 0 ], [ 0, 7.64806307, -1.5510068 ], [ 0, -0.12875617, 7.80268598 ] ]
[ [ 4.113812745, 5.026917874580499, 1.6016171884324575 ], [ 1.371270915, 2.492389025419501, 4.650061991567542 ], [ 2.74254183, 0.989488453663976, 0.8226774684009072 ], [ 0, 0.989488453663976, 0.8226774684009072 ], [ 0, 6.529818446336024, 5.42...
[ true, true, true ]
Cs2Fe4Se6
CsFe2Se3
A3B2C
[ "Cs", "Fe", "Se" ]
[ 0.16666666666666666, 0.3333333333333333, 0.5 ]
[ 55, 55, 26, 26, 26, 26, 34, 34, 34, 34, 34, 34 ]
12
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_47704", "megnet_33729" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9800/MD_6995933497425354779779800.json
null
{"desc": [2647.9, 1678.7419666666667, 3.7733333333333334, -57.753483966666664, 0.0, 82.05391896666667, 4.666666666666667, 3706.9256692619997, 3.2560541310541313, -863.8633333333333, 56.862500000000004, 1.8730866666666663, 35.43566666666667, 0.0, -33.839999999999996, 327.005, 2.5773333333333333, 1710.1500000000003, 0.0,...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000071991245335564682567
10000719912453355646825670300439712858132615316558783290779728405812624826328441791590341201453495839724315723153582292995473024513802323190373850878025986
2025-04-16T15:23:12
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-10.229865
null
null
null
null
null
CO_1326602918466454428068489
13266029184664544280684897307493839185563559231587664743605588259404470132023775877256264170776173957527617015219610527030880412967509465150115116913711087
2253057177901869386504171249659891702912379086543855675956205326497921662318171579325165121282484148071074406228978037241129011882445127270659552374760004
[ [ 4.30536001, 0, 0 ], [ 0, 6.94455825, 0 ], [ 0, 0, 7.11351374 ] ]
[ [ 1.0763400025, 2.0996748950193975, 6.355480714567761 ], [ 3.2290200075, 4.8448833549806025, 0.7580330254322387 ], [ 1.0763400025, 5.5719540200193975, 4.314789895432239 ], [ 3.2290200075, 1.3726042299806025, 2.7987238445677614 ], [ 3.2290200075, ...
[ true, true, true ]
Er4Ru4Si4
ErRuSi
ABC
[ "Er", "Ru", "Si" ]
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ 14, 14, 14, 14, 44, 44, 44, 44, 68, 68, 68, 68 ]
12
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_23617", "megnet_10485", "matbench_mp_gap_99432", "matbench_mp_e_form_52515" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1922/MD_5004472563544967952311922.json
null
{"materials-project-version": "2019.7.30", "volume": 212.68569089974383, "hash": "5004472563544967952311922873319329725399867692396833645226528478693267430634403802432358396063339319241642946333012901454719054579197696081801674596613968", "id": "MD_5004472563544967952311922"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000218272306101293831079
10002182723061012938310794104525572182624643887463462481840864509357152867806321907027469252130385212826597396001267121476205764273152573586181270536458444
2025-04-16T17:30:38
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.6354
unknown
-87.4754
null
null
null
null
null
CO_6753709772549838035032505
6753709772549838035032505167728284762573140420212642768751993175596526026453302496138779486160915070776614654182465104924747158468270870908050550438015816
8434127463635717448203035618927884342407701187536442647332284437159332357202086485652439736673799042374789386690596832749463085053841752192543919747325514
[ [ 6.73092471, 0.01660361, 0 ], [ -1.3685055, 9.38527328, 0 ], [ 0, 0, 12.34130387 ] ]
[ [ 0.9762779074665586, 4.965100177084301, 6.659498139246945 ], [ 1.0206789475334417, 4.4284749079156995, 0.48884620424694464 ], [ 4.386141302533441, 4.436776712915699, 5.681805730753056 ], [ 4.341740262466558, 4.973401982084301, 11.852457665753057 ], [ ...
[ true, true, true ]
As8Cd12O32
As2Cd3O8
A8B3C2
[ "As", "Cd", "O" ]
[ 0.15384615384615385, 0.23076923076923078, 0.6153846153846154 ]
[ 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 33, 33, 33, 33, 33, 33, 33, 33, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]
52
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_18228", "megnet_5125" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4970/MD_8745256887463771597444970.json
null
{"desc": [895.39, 672.5029000000001, 2.7099999999999995, -53.340666666666664, 0.0, 56.97717666666667, 3.6666666666666665, 903.1091013333333, 37.68996997975379, -573.6733333333333, 5.594566666666666, 2.1835999999999998, 14.609, 0.0, -43.00886, 696.5421686977523, 3.1666666666666665, 686.8366666666667, 0.0, 22.63333333333...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000243588079828952770769
10002435880798289527707692844655440279788209750103954875741561341312166589635987275605741502941294351063617268158936938339718687876341216005679365883526561
2025-04-16T16:33:14
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-40.760431
null
null
null
null
null
CO_1140353789692244069698999
11403537896922440696989999582895006687297241479717346761025069559349277076636445442650523689957747715350123533522206010592719482204783792714822689224683189
12105044825953037861058731625675597691233053692122506029121657029024847077244262784917473210956234290900262776070328907017927251152444937667599731902172643
[ [ 4.3750348, -0.09677227, 0 ], [ -0.09677227, 4.3750348, 0 ], [ 0, 0, 14.75506411 ] ]
[ [ -0.09018324115463779, 4.368445771154637, 14.751810470813103 ], [ -0.09152187660104229, 4.369784406601042, 2.9512512638360175 ], [ -0.09152187660104229, 4.369784406601042, 5.901787202163982 ], [ -0.09018324115463779, 4.368445771154637, 8.856292105186895 ...
[ true, true, true ]
Co10F5O15
Co2FO3
A3B2C
[ "Co", "F", "O" ]
[ 0.3333333333333333, 0.16666666666666666, 0.5 ]
[ 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9 ]
30
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_68810", "megnet_54463" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2661/MD_6868397698086899969252661.json
null
{"desc": [1472.2116666666668, 1125.1322499999999, 7.784666666666666, -19.5669994, 0.3333333333333333, 18.3363794, 2.6666666666666665, 294.53870349666664, 79.78020258982487, -619.2766666666666, 3.6282333333333328, 6.367453333333334, 37.202333333333335, 0.0, -27.184759999999997, 1337.2905004803517, 4.875666666666667, 113...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000269069307852670782444
10002690693078526707824448501423228465334447009068989452760796871202109928573274168121149262054781983477379548495517562901906350845827631831927686294471950
2025-04-16T15:44:09
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
4.4468
unknown
-39.37943
null
null
null
null
null
CO_1005009866753261955395480
1005009866753261955395480386983519077381957879786739799551237178908666250387838319733892150861647470889401524793156287101207760378604950847780894059108491
12458811055535991556558268278519751444260114664783957180938374193588424899363932658836103803026191729849892444925668020098048986133481871958014068061153300
[ [ 5.82879786, 0, 0 ], [ -2.91439843, 1.68262932, 5.08794324 ], [ 2.91439843, -5.04788697, 0 ] ]
[ [ 0.000003056342750168683, -0.0000015421044433344566, 2.1666088422579506 ], [ 2.9143958736572495, -1.6826272828955569, 0.3773627777420497 ], [ 2.91439615754489, -1.6826270018467935, 4.71057537431471 ], [ 5.82880063245511, -3.3652594731532073, 2.92133948568...
[ true, true, true ]
O6Y4
O3Y2
A3B2
[ "O", "Y" ]
[ 0.6, 0.4 ]
[ 39, 39, 39, 39, 8, 8, 8, 8, 8, 8 ]
10
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_54757", "megnet_40433" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7344/MD_9008375801971964740927344.json
null
{"bulk-modulus": 138.0, "desc": [3275.16, 1849.65805, 3.743, -33.832625, 0.0, 42.53495, 3.5, 1022.598941, 56.75693798964281, -919.9, 20.6706, 2.6057599999999996, 16.493499999999997, 0.0, -1.51329, 1083.7620280617891, 3.183, 1868.22, 0.0, 14.35, 49.55, 19.3, 0.0, -0.7, 0.0, 14.25, 19.3, 50.099999999999994, 926.047, 0.91...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000284955666384388266607
10002849556663843882666078952813242349974297962348300542942791051250570451689321327167742714373923106058251162514276242211801817214637612761030247979686783
2025-04-16T15:42:57
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
3.5528
unknown
-109.065245
null
null
null
null
null
CO_1193475732567966851701911
11934757325679668517019111985090604713909066746093159832703133149623290610403214962763233824481807740379344740565973495625779605037679897928987342058311792
3420417796025906740747381625295356625262486436264333608960990247251621550698765744287385422396033024829614822052908868928235029453704398394872988331499965
[ [ 11.00259341, -0.23527505, -5.80269958 ], [ -2.85413292, 10.63486871, -5.81221649 ], [ 0.39190244, 0.50232497, 14.03057454 ] ]
[ [ -0.30146061954854947, 7.822971519011194, 8.559471028308254 ], [ 0.4456510049755922, 2.567878478887711, 8.953278728549849 ], [ -0.28496751784498053, 3.17629109644304, 5.961167301168929 ], [ 1.490221157718882, 5.476903492324673, 9.278385518456142 ], [ ...
[ true, true, true ]
B28Li20S52
B7Li5S13
A13B7C5
[ "B", "Li", "S" ]
[ 0.28, 0.2, 0.52 ]
[ 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, ...
100
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_33436", "megnet_20261" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6904/MD_6113266846766334239836904.json
null
{"desc": [2209.8733333333334, 2177.8064033333335, 5.098333333333334, -5.625666666666665, 0.0, 8.589083666666665, 2.3333333333333335, 211.9338533333333, 6.605009121986645, -1057.3500000000001, 13.587083333333332, 2.0962533333333333, 74.51100000000001, 0.0, -31.06833333333333, 662.2588512673364, 2.821, 2188.603333333333,...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000226361454448579287378
10002263614544485792873784597923868792829908979254001018313410062580035041871474517657163589623235648820168529253775806336521837787034870936656721985945930
2025-04-16T18:06:12
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-3.699075
null
null
null
null
null
CO_1020850927115827200390278
10208509271158272003902786721211546493478073653290799065712794904875485273406795209779992242868684958811801694197191657793363740672091273964884671145025113
1519058265068697468903819980155280422099178142187205149953456234246522389349232623628152260893678949077991096001171638705579133560060930646146795231531728
[ [ 7.48887555, 0, 4.32370467 ], [ 2.49629151, 7.0605799, 4.32370467 ], [ 0, 0, 8.64740833 ] ]
[ [ 7.488875295000001, 5.2954349249999995, 12.971113252499999 ], [ 2.496291765, 1.765144975, 4.3237044175 ], [ 7.395598868380835, 3.9544693971334857, 9.688449492915815 ], [ 8.78424184281193, 4.936388338962828, 7.6063686820841845 ], [ 5.29368829746821...
[ true, true, true ]
Ca2Zn26
CaZn13
A13B
[ "Ca", "Zn" ]
[ 0.07142857142857142, 0.9285714285714286 ]
[ 20, 20, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]
28
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_48026", "megnet_34038" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6940/MD_6928124426495212052296940.json
null
{"desc": [2377.8, 1468.5780399999999, 0.14220000000000002, -35.063500000000005, 0.0, 44.98982050000001, 4.0, 824.59502, 0.07166666666666666, -892.8399999999999, 27.0862499999925, 0.011850000000000001, 23.5265, 0.0, -149.0, 5.673666666666667, 1.33685, 1486.18, 0.0, 24.3, 96.85, 31.3, 0.0, 0.0, 0.0, 24.3, 31.3, 96.85, 90...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000277193160450985855584
10002771931604509858555841113772517726315704453339275377291992531327444906371802370893503906581802857851758668542911775690897317248340079620861318675793997
2025-04-16T20:19:31
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-6.538198
null
null
null
null
null
CO_1047217357858490162940113
1047217357858490162940113085866125578785393621659411340591157729447809972300652677450491806589926346903361006434370688971563160825425640621512751676133618
4941526108126802131003307314637849243507066942414625538808196458444561430060725406105519853847472194035068583228298757719482717168732283335802421653754258
[ [ 13.64861232, 0, -0.02171157 ], [ 0, 13.1447785, 0 ], [ 0.8301296, 0, 7.49020738 ] ]
[ [ 9.859016289757566, 5.436275659869985, 1.9486376114834576 ], [ 11.444031790242436, 12.008664909869985, 5.5090024135165425 ], [ 4.619725630242435, 7.708502840130015, 5.519858198516543 ], [ 3.0347101297575647, 1.1361135901300148, 1.9594933964834576 ], [...
[ true, true, true ]
C8H24Cl16N8Zn4
C2Cl4H6N2Zn
A6B4C2D2E
[ "C", "Cl", "H", "N", "Zn" ]
[ 0.13333333333333333, 0.26666666666666666, 0.4, 0.13333333333333333, 0.06666666666666667 ]
[ 30, 30, 30, 30, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17...
60
5
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_51268", "megnet_37107" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2963/MD_9712856569479760631512963.json
null
{"desc": [979.4927999999998, 1163.607246, 4.1942, -14.217468000000002, 0.2, 13.226533600000002, 2.4, 296.07442116000004, 116.46149626999087, -943.668, 2.4166396500090004, 3.35345, 53.3212, 0.0, -47.443046, 4366.478383859899, 3.6854, 1174.7099999999998, 0.0, 8.319999999999999, 248.59999999999997, 49.8, 0.0, 0.0, 0.0, 12...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000274317373114372785298
10002743173731143727852982117170723349363923569038490846900199223561432765435728861771146523115022800355749932984552741539818259937898785560052844432948941
2025-04-17T17:35:57
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.6373
unknown
-86.913739
null
null
null
null
null
CO_7701000778138376810000718
7701000778138376810000718030237568216477610846698861274832063718540817835032417518699880714644490759938953696176787655284348460495993955498145515528153420
8079308886382443807219859831302746874626240003269341745886494342381453531039830181042271149324382219581165568918565498104961223868927591764217596081700503
[ [ 8.92427896, -0.07732122, -0.05387082 ], [ 4.66476535, 7.6084622, -0.05387085 ], [ 4.66476534, 2.58524454, 7.15598352 ] ]
[ [ 15.66874528574823, 8.683725258705744, 6.05008534533507 ], [ 5.997767899288111, 6.91957367618875, 3.3058371436420217 ], [ 7.8414608362322165, 2.171535470217811, 5.345858457060019 ], [ 9.046686087611418, 3.5924205806980134, 0.1851152198782281 ], [ ...
[ true, true, true ]
O24P6VW3
O24P6VW3
A24B6C3D
[ "O", "P", "V", "W" ]
[ 0.7058823529411765, 0.17647058823529413, 0.029411764705882353, 0.08823529411764706 ]
[ 23, 15, 15, 15, 15, 15, 15, 74, 74, 74, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
34
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_60189", "megnet_45864" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7949/MD_1891017573775333714707949.json
null
{"desc": [3359.98, 2537.281425, 5.1875, -57.3961655, 0.0, 60.75992550000001, 3.75, 742.4302733100001, 33.60866550207384, -1555.525, 8.959050000000001, 2.2767349999999995, 52.4235, 0.0, -43.315644999999996, 874.5866752729748, 3.2605, 2550.0925, 0.0, 86.825, 212.97500000000002, 90.875, 0.0, -0.35, 0.0, 96.6, 90.875, 246....
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000270414902856200659313
10002704149028562006593136550937904534736717204721347410574989896207553458429849993630179683132953085300213613299520146736170493800788813302046661507161380
2025-04-16T17:13:10
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-13.216327
null
null
null
null
null
CO_1238289563058366728324629
12382895630583667283246296599776107221805638729409019018202177396359396168174796633323412166643135086533146106207402432876734106654808386475495948409867486
10616783188407266989116042057743921595151978122147507038676838118407139794046244418654092447087925676505696755818327320617234051452112925213128827293974602
[ [ 3.3257618, -0.00018346, 15.56671852 ], [ -0.09466448, 5.65145041, 47.41060586 ], [ -0.06307798, -0.00031828, 31.60710786 ] ]
[ [ 1.4332171979812367, -0.00010981159988630001, 20.600779717870164 ], [ 1.4048343150785492, 1.7722188862961268, 36.426546418831286 ], [ 1.3731097551290112, 3.879101949140983, 52.22985242328465 ], [ 0.9807342392030605, -0.00013115253821099999, 14.34841255240...
[ true, true, true ]
Cr4Ga6Se15
Cr4Ga6Se15
A15B6C4
[ "Cr", "Ga", "Se" ]
[ 0.16, 0.24, 0.6 ]
[ 24, 24, 24, 24, 31, 31, 31, 31, 31, 31, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]
25
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_48982", "megnet_34979" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6492/MD_7485772265247269324956492.json
null
{"desc": [2814.466666666666, 2126.44425, 5.875, -55.076366666666665, 0.0, 59.386966333333326, 4.0, 831.7288010000001, 3.298060462403823, -985.6366666666667, 10.377166666666666, 2.1876566666666664, 56.919999999999995, 0.0, -34.50666666666667, 327.8788872584984, 2.967333333333334, 2138.15, 0.0, 63.900000000000006, 207.0,...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000174498257968025615176
1000174498257968025615176934097001986921025816691299322586620970309809365287232497350413878471667270809727263244961161928954479039113780995569122014094445
2025-04-16T19:00:56
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
4.061
unknown
-13.042416
null
null
null
null
null
CO_6919020159156391165848278
6919020159156391165848278481968546354904129278908276842136038840406830923532569602328688665000674622969622494366995411240306071245790171611393988107115245
2366286538889151303431676124402197946860552721063587364182713039886300278746961030590566187104947098739025207824649826056545422851828523443562521399622687
[ [ 3.33293004, 0, 0 ], [ -1.66646451, 0.96213363, 5.55965896 ], [ 1.66646452, -2.8864019, 0 ] ]
[ [ 0, 0, 0 ], [ 1.666465025, -0.9621341350000001, 2.77982948 ], [ -0.0000014405623937756002, 7.338982391144769e-7, 3.9279331915460145 ], [ 3.3329314905623937, -1.9242690038982393, 1.6317257684539856 ] ]
[ true, true, true ]
LuNaO2
LuNaO2
A2BC
[ "Lu", "Na", "O" ]
[ 0.25, 0.25, 0.5 ]
[ 11, 71, 8, 8 ]
4
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_54951", "megnet_40627" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9194/MD_8288860669481887536279194.json
null
{"desc": [2855.39, 1640.4715666666664, 5.355333333333333, -51.67872309333333, 0.0, 63.25772776, 3.6666666666666665, 1311.7865191594667, 37.880010480490164, -774.89, 27.4014, 1.9921466666666667, 14.551333333333332, 0.0, -43.342193333333334, 728.2206993801283, 2.6926666666666663, 1660.0400000000002, 0.0, 11.4, 43.5333333...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000130443420201216700989
10001304434202012167009894577795357859483779233371794003615907529689058446277079054387892099092024379120843655005024074585725430200547998008897589103771567
2025-04-16T20:10:06
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
0.572057
null
null
null
null
null
CO_5363294814046618819844034
5363294814046618819844034720861111808741918816264090655136387373514157586317321732729784548490930985412418140065176681041012604804258443129161663375584785
4885872970869008919560748864871109012793087103466659556974320621930759116604257202915962728316410462483119819315770149599336812512387871225044060147768655
[ [ -2.07237273, 2.07237273, 4.3653107 ], [ 2.07237273, -2.07237273, 4.3653107 ], [ 2.07237273, 2.07237273, -4.3653107 ] ]
[ [ -2.220446049250313e-16, 2.0723727300000006, 2.18265535 ], [ 2.07237273, 0, 2.18265535 ], [ 0, 0, 4.3653107 ], [ 0, 0, 0 ] ]
[ true, true, true ]
SnZn3
SnZn3
A3B
[ "Sn", "Zn" ]
[ 0.25, 0.75 ]
[ 30, 30, 30, 50 ]
4
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_74993", "megnet_60247" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8053/MD_5381628820120926675658053.json
null
{"bulk-modulus": 51.53532515438931, "desc": [2880.875, 2027.57109, 2.6825, -79.33449999999999, 0.0, 83.6904405, 4.5, 1266.46617, 0.07898009950248755, -591.38, 9.0447500000225, 1.05154, 29.1265, 0.0, -86.0, 6.65542039800995, 2.3415, 2040.225, 0.0, 34.45, 109.55, 37.4, 0.0, 0.0, 0.0, 34.45, 37.4, 109.55, 598.3435, 0.6075...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000121135860957610254989
10001211358609576102549899157847687658564956249992128738154460274747307464606733688937519739109196681486537521546452391427792429842956080413919518583489198
2025-04-16T18:28:12
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.243
unknown
-9.501909
null
null
null
null
null
CO_9753971566821639318808214
9753971566821639318808214362632647560855140491663844154128074837259733236642959579559076840102350346611626115501148720462807292974660974762698292854048356
7449267782121798364885011716792015312238767459431177664070195962762357829284963099014472913319477805933178517347791042334735705137433377994718616196557940
[ [ 6.3255252, 0.00155969, -2.60620118 ], [ -1.362725, 6.75049224, -3.30603959 ], [ -0.04201689, 0.01181371, 8.86486529 ] ]
[ [ 4.660192648967723, 3.4952936214257924, 2.322280515683764 ], [ 0.2605906610322783, 3.2685720185742078, 0.6303440043162348 ], [ 2.9773187347572936, 5.479944694089443, -1.755098371432492 ], [ 1.943464575242707, 1.283920945910556, 4.707722891432491 ], [ ...
[ true, true, true ]
Cs4Mn2Se4
Cs2MnSe2
A2B2C
[ "Cs", "Mn", "Se" ]
[ 0.4, 0.2, 0.4 ]
[ 55, 55, 55, 55, 25, 25, 34, 34, 34, 34 ]
10
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_42837", "megnet_29314" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4228/MD_1146474387030233460384228.json
null
{"desc": [2274.5666666666666, 1412.0723, 3.25, -57.364498966666666, 0.0, 81.90772729999999, 4.666666666666667, 3709.543529512, 3.5798457608802434, -767.0127586206896, 57.32916666666667, 1.7773166666666664, 35.995666666666665, 0.0, -10.256091954022988, 384.37369658119655, 2.4316666666666666, 1443.57, 0.0, 75.96666666666...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000317739282749895070540
10003177392827498950705407588453099339358710292123673468967843838433755114139492303177098037538164943342389412088723775477810137676062681502776912326796229
2025-04-16T16:06:20
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.0177
unknown
-61.445311
null
null
null
null
null
CO_5594998640558988500083078
5594998640558988500083078090655263288676198471319035162192055847788294306124625268137017871078380044254863947447933572295075350158742606105748935225846643
13313885170960823757653256925363132642788321437840462928261865078346066138166684039016985346614539766604259633061660784568411388442543457901468977532624071
[ [ 7.45038505, 0, 0 ], [ 0, 8.34657653, 0 ], [ 0, 0, 5.70907285 ] ]
[ [ 0, 4.173288265, 1.4452542468788254 ], [ 0, 4.173288265, 4.263818603121174 ], [ 0.7242399355905695, 7.068512173721199, 2.854536425 ], [ 3.000952589409431, 2.8952239087211984, 2.854536425 ], [ 3.725192525, 0, 1.4452542468788254 ], [ ...
[ true, true, true ]
In4Mn8O20
InMn2O5
A5B2C
[ "In", "Mn", "O" ]
[ 0.125, 0.25, 0.625 ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 49, 49, 49, 49, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
32
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_65640", "megnet_51304", "matbench_mp_gap_39108", "matbench_mp_e_form_82700" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4052/MD_3583183702721325276334052.json
null
{"materials-project-version": "2019.7.30", "volume": 355.0198883608751, "hash": "3583183702721325276334052579693776826162168198089524370900322206852583834917964841900380169369336030808675488674478129997423109620260117133069528348353855", "id": "MD_3583183702721325276334052"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000304171105196869908606
10003041711051968699086067652301863795392863497093199005174719686367983122338386624503327843993936884627809888971847851685148100487374780546551455864778734
2025-04-16T18:54:58
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.7057
unknown
-167.238025
null
null
null
null
null
CO_9257449430703279841334927
9257449430703279841334927658532046622721127027284769253133807024788195651557946849769991850722972693972859257118791536071315086203095239005838099311102186
7285111746932785354735621101336132563337867861238587667111476369626441490556395310368012403293841899528441041351289176683057699726083389967513862215163510
[ [ 9.52406839, 0, -5.59340894 ], [ 0, 7.49466996, 0 ], [ 0.17473447, 0, 11.42934449 ] ]
[ [ 2.449860005732371, 4.216142025018118, 8.67847884461472 ], [ 7.336310089267629, 0.46880704501811765, 2.87212895038528 ], [ 7.2489428542676295, 3.2785279349818826, -2.84254329461472 ], [ 2.3624927707323713, 7.025862914981882, 2.9638065996147196 ], [ ...
[ true, true, true ]
H16O44P8V8
H4O11P2V2
A11B4C2D2
[ "H", "O", "P", "V" ]
[ 0.21052631578947367, 0.5789473684210527, 0.10526315789473684, 0.10526315789473684 ]
[ 23, 23, 23, 23, 23, 23, 23, 23, 15, 15, 15, 15, 15, 15, 15, 15, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, ...
76
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_53786", "megnet_39463" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1945/MD_9852792510610416141721945.json
null
{"desc": [1394.2975, 1085.22215, 3.7685000000000004, -11.2006505, 0.0, 13.61830725, 2.5, 310.06674201, 37.74908427346051, -637.0275000000001, 5.2544745625000004, 2.2133950000000002, 16.71675, 0.0, -2.6107700000000005, 888.557283876527, 3.206, 1098.65, 0.0, 36.55, 85.4, 40.65, 0.0, -0.35, 0.0, 46.325, 40.65, 118.4250000...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000348523586795579840720
10003485235867955798407202484553425046213508160376126242980744806843346737681391629493072595774826909690253093268629163785433356851861608145253719875621459
2025-04-16T17:45:47
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-2.075278
null
null
null
null
null
CO_2066855879476601176991274
206685587947660117699127419669069175658129668796018212217155593904232424086541741800198462080883747046496904376048952256530184775999811017652949751886846
10505022103045790122845558791198462437690545250870753069408250656794511358590522749398846243454321006340955646257297278822091762525179823747710923954508490
[ [ 4.08435316, 0, 2.3581024 ], [ 1.36145105, 3.85076509, 2.3581024 ], [ 0, 0, 4.7162048 ] ]
[ [ 2.722902105, 1.925382545, 4.7162048 ], [ 0, 0, 0 ] ]
[ true, true, true ]
BiLa
BiLa
AB
[ "Bi", "La" ]
[ 0.5, 0.5 ]
[ 57, 83 ]
2
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_24156", "megnet_11020", "matbench_mp_gap_82735", "matbench_mp_e_form_57470" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9974/MD_8932663259852706179459974.json
null
{"materials-project-version": "2019.7.30", "volume": 74.17592467344697, "hash": "8932663259852706179459974749520901948673149970032478729154841307562930855444697231636882659360845392455907676489257869090344616791658199561006850078183445", "id": "MD_8932663259852706179459974"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000358356472003143471976
100035835647200314347197651824921376502870575319061442968502188634477033320786322452999909028564570655820020175301844433900395150607250651477918218113668
2025-04-16T17:54:22
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.362
unknown
2.537787
null
null
null
null
null
CO_1121836602551892036499385
11218366025518920364993853803066858177783251066038658337319181294214357844643975563221358200643158042969152737127289210765373289214015889760217460883283205
8315770717540019597633907890682672196205110069161597798202562164591357097559647723363225506311436186414929363565597676249755167294056344727135827799156603
[ [ 9.02143291, 0, 0 ], [ 0, 16.27005758, 0 ], [ 0, 0, 20.32062352 ] ]
[ [ 8.860695694269973, 6.733585253068391, 12.33873137084045 ], [ 2.5866265971701363, 4.199833404179139, 0.49007776079395526 ], [ 5.95486932973371, 1.3599190959759329, 18.40069219743948 ], [ 4.315393230636931, 2.623914488076308, 15.862488022134256 ], [ ...
[ true, true, true ]
S88
S
A
[ "S" ]
[ 1 ]
[ 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, ...
88
1
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_39090", "megnet_25799", "matbench_mp_gap_41889", "matbench_mp_e_form_11751" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1207/MD_4367691035454131890351207.json
null
{"materials-project-version": "2019.7.30", "volume": 2982.645532311375, "hash": "4367691035454131890351207617318598936574841949367294815301097014765891039288999571540758007370086950726731749396911951498409799168999135423710753363605658", "id": "MD_4367691035454131890351207"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000373379019343011092205
10003733790193430110922051328735913041862947534206823355617660279405656972057317734031304073948130356499636742785320606019907376061139962120267950958521387
2025-04-16T17:32:52
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.1216
unknown
-91.778591
null
null
null
null
null
CO_4447289265519697871588855
4447289265519697871588855370555100493353447684400248265912401123160309955834204362042472990554520421778514375295543664729676556769357570864048847288626610
1641568362610491386707028575118884149425173383357254093112604683161233241768918255646329225899042788581360080116341883018855949766120166397539014575886247
[ [ 8.35077704, -0.05457632, -0.10584572 ], [ 4.16481545, 7.69917151, -0.08339962 ], [ 4.10445102, 2.52869844, 7.04894228 ] ]
[ [ 8.333024003023098, 2.050209300451398, 2.439876754942096 ], [ 8.501261686200193, 8.098862486941087, 4.434102277891187 ], [ 10.156327480935087, 4.405893902963432, 5.921291566674131 ], [ 11.031601426709887, 5.652743374222941, 1.9347830409968874 ], [ ...
[ true, true, true ]
Cu2Li4Ni3O24P6Ti
Cu2Li4Ni3O24P6Ti
A24B6C4D3E2F
[ "Cu", "Li", "Ni", "O", "P", "Ti" ]
[ 0.05, 0.1, 0.075, 0.6, 0.15, 0.025 ]
[ 3, 3, 3, 3, 22, 29, 29, 28, 28, 28, 15, 15, 15, 15, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
40
6
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_66823", "megnet_52478" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0009/MD_7687592827776039304230009.json
null
{"desc": [2758.4949999999994, 2033.6449833333334, 7.020333333333333, -25.380093666666667, 0.0, 28.721633833333332, 3.1666666666666665, 373.86687987333335, 22.45697732225081, -966.9266666666667, 12.886574999999999, 1.9195199999999997, 40.44233333333333, 0.0, -91.21042999999999, 587.0233817105985, 2.8443333333333336, 204...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000343955737980064054582
10003439557379800640545828231743297586297434618954999864590028165588213597778502934293466375240194806944346343534990672153716161333773611777456923336291738
2025-04-16T15:44:44
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-62.003107
null
null
null
null
null
CO_7158311005049401991189751
715831100504940199118975156845388267953754260900818919433421550000970604465037777777802371518629221835619516368014472072465033547038142839409916571349454
6753703110106190586340401872822379563968265632539855833279770777060945289568762736731789285879459447943307435920957620158022278964679435943024360715994001
[ [ 5.93915514, -0.03021422, 0.02969001 ], [ -2.99574163, 5.1906723, 0.00187692 ], [ 0.04767096, 0.03104361, 9.71224421 ] ]
[ [ 0.05916395247192722, 3.498745290266589, 8.68066467206955 ], [ 2.987749407014086, 5.189344880825983, 9.687223026696017 ], [ 2.9405929141407325, 5.160688943490017, 4.834702896153645 ], [ 3.0011554753349143, 1.7349061067606997, 3.8073553538389415 ], [ ...
[ true, true, true ]
Cr3Li4Mn3O16Sn2
Cr3Li4Mn3O16Sn2
A16B4C3D3E2
[ "Cr", "Li", "Mn", "O", "Sn" ]
[ 0.10714285714285714, 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.07142857142857142 ]
[ 3, 3, 3, 3, 25, 25, 25, 24, 24, 24, 50, 50, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
28
5
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_66971", "megnet_52626" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2422/MD_1276159164689909061832422.json
null
{"desc": [2790.764, 1971.72856, 4.397, -37.466908999999994, 0.0, 41.6060652, 3.4, 616.3267475499999, 22.852369789690623, -935.2036551724138, 15.080789999999999, 1.7209879999999997, 49.6814, 0.0, -43.45497117241379, 458.5023285383113, 2.6624, 1983.8899999999999, 0.0, 79.96, 204.04, 81.69999999999999, 0.0, -0.27999999999...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000340117313544423624327
10003401173135444236243276936793028388478805302934162194554252690462980327152267520134957239153812952340782109819128134204637448389658977996930327836632145
2025-04-16T20:10:30
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.5637
unknown
-14.243228
null
null
null
null
null
CO_7390382957218987780312431
7390382957218987780312431784525479233854549473133040746284592980987479397304631073984452167555973815122618708062412927811282141661045924097627942286868476
7207089795240574006671935284804442211991513512472557267858333718207710290465397180364637008464763512046315456108355315292685368868640096724229463632199921
[ [ 3.04850832, 1e-8, 0 ], [ -1.52425365, 2.64008562, 0 ], [ 0, 0, 11.44912248 ] ]
[ [ 3.3999966003439797e-7, 1.76005532327625, 4.715085813921036 ], [ 1.52425280574567, 0.8800276666381199, 10.439647053921036 ], [ 1.52425280574567, 0.8800276666381199, 6.7340481152014435 ], [ 3.3999966003439797e-7, 1.76005532327625, 1.009475426078964 ], ...
[ true, true, true ]
Cr2Cu2O4
CrCuO2
A2BC
[ "Cr", "Cu", "O" ]
[ 0.25, 0.25, 0.5 ]
[ 8, 8, 8, 8, 24, 24, 29, 29 ]
8
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_32741", "megnet_19568", "matbench_mp_gap_69776", "matbench_mp_e_form_77408" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5722/MD_4485043435169769044795722.json
null
{"materials-project-version": "2019.7.30", "volume": 92.14623570917692, "hash": "4485043435169769044795722133727818201312850253035529422395285719762917936560534500758743590322816173938050974154290782535689104945391662799797990574353932", "id": "MD_4485043435169769044795722"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000478152618914787501878
10004781526189147875018785141191134092674127989732130568239110263533322670846458386030112448676891127763135283201835266276694723921102130480599820740986344
2025-04-17T17:56:16
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-4.10354
null
null
null
null
null
CO_1245350178959299084189828
124535017895929908418982818968918483347493794113177865531966117201900913116607091413363850439694443709620774499512304021348321167207908468942617998316020
1885084017868252859353834381222325344163166376540274997945536780655698694139717967498406606731749371674550993313131903956372918386617598893834258410131317
[ [ 3.35827507, 2.4e-7, 1e-8 ], [ -1.67913733, 2.90832986, 0.00001138 ], [ 7e-8, 0.00008807, 23.87798058 ] ]
[ [ -0.0000011695055018628508, 1.9390485183325217, 12.665483051799207 ], [ -0.0000012477308179466682, 1.9390542620727813, 8.892352612869223 ], [ 1.6791371479930957, 0.9696247132118984, 10.779094918101816 ], [ 6.677209287139596e-7, 1.9387733996012568, 3.59212...
[ true, true, true ]
MoS2Te2W
MoS2Te2W
A2B2CD
[ "Mo", "S", "Te", "W" ]
[ 0.16666666666666666, 0.3333333333333333, 0.3333333333333333, 0.16666666666666666 ]
[ 52, 52, 42, 74, 16, 16 ]
6
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_3092", "megnet_1820" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5712/MD_1250940816839689860245712.json
null
{"desc": [4368.3675, 3179.9897275, 8.14, -96.15125, 0.0, 101.2797325, 4.75, 1437.3868625, 5.3274069410182046, -1918.255, 11.036249999999999, 3.14055, 74.03325000000001, 0.0, -70.80125, 544.4738793871646, 3.65175, 3193.4275, 0.0, 99.175, 257.425, 95.55, 0.0, -4.05, 0.0, 99.175, 95.55, 257.425, 1924.1532499999998, 1.6239...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000473709614106842271271
1000473709614106842271271911278431819705668036033542971383213052414007673080457032996242817836808347843492985681570398258136016728843838397457465089918872
2025-04-16T18:44:29
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.7739
unknown
-44.2756
null
null
null
null
null
CO_3893678985032695109455032
3893678985032695109455032091659099212864544428524855961519126763283142946725154472066982559385139875949034364073824339072429750537375798963779344013903581
7918307002582962750109282203969798102868777175085358544496966532688147855063812614610769716447732085251578471501181343289508589685398492135221177652483826
[ [ 10.07127054, 0, 0 ], [ -5.03563527, 8.72197634, 0 ], [ 0, 0, 5.87278713 ] ]
[ [ -2.5879634803912204, 6.74128502733743, 4.3812208244014625 ], [ 2.939164848510237, 1.1294003431693136, 1.4448272594014624 ], [ 7.623598750391221, 1.98069131266257, 1.4448272594014624 ], [ 0.4914930589014572, 3.1100916558318836, 4.3812208244014625 ], [...
[ true, true, true ]
Cu2Ge2S14Sm6
CuGeS7Sm3
A7B3CD
[ "Cu", "Ge", "S", "Sm" ]
[ 0.08333333333333333, 0.08333333333333333, 0.5833333333333334, 0.25 ]
[ 62, 62, 62, 62, 62, 62, 29, 29, 32, 32, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
24
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_36341", "megnet_23123" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2954/MD_8297501689284460400532954.json
null
{"desc": [3186.1800000000003, 2271.8697025, 8.5395, -65.59025, 0.0, 71.74537000000001, 4.75, 1236.0143775, 5.137151344590369, -1067.3825, 17.945625000000003, 2.596625, 33.678250000000006, 2.0, -110.05125, 505.37124696294563, 3.1334999999999997, 2285.78, 0.0, 46.824999999999996, 91.925, 48.8, 0.0, -0.75, 0.0, 46.8249999...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000499116670074564605531
10004991166700745646055318214632141081710637955561732784300213164032160135127847789765456959781982049289850669657667800277036578923185054294911134959683641
2025-04-16T18:33:43
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
4.658
unknown
-125.415993
null
null
null
null
null
CO_1045985695670671542678621
10459856956706715426786214269908418727194887075943468266178428104093366905349535831764248413630959647064293305720722284367419805507714211919714134639444780
12611089567971279270019885223343736055061412470297433506823765160835159630558822260534942853148758104936314454554120294853492982229387855075504566553711372
[ [ 9.41714568, -0.02030935, -3.26440867 ], [ -4.77613928, 8.11615542, -3.26435311 ], [ 0.01159643, 0.02029711, 9.96687421 ] ]
[ [ 5.257833991003792, 5.0599274492247615, -2.404878722004004 ], [ -0.6052311610037912, 3.056215730775239, 5.8429911520040045 ], [ 1.4509004346765053, 3.7635797311943713, -1.1672684307888648 ], [ 7.640135939825073, 2.43151227701921, -3.3861399467043696 ], ...
[ true, true, true ]
Lu2Na10O32W8
LuNa5O16W4
A16B5C4D
[ "Lu", "Na", "O", "W" ]
[ 0.038461538461538464, 0.19230769230769232, 0.6153846153846154, 0.15384615384615385 ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 71, 71, 74, 74, 74, 74, 74, 74, 74, 74, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
52
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_38804", "megnet_25519" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6290/MD_1302385622090056021756290.json
null
{"desc": [4108.492499999999, 2687.48445, 5.9815, -82.35154232000001, 0.0, 91.43728832000001, 4.25, 1419.0810893696, 28.424713742720567, -1502.4175, 24.2973, 1.9578499999999999, 46.7785, 0.0, -72.506645, 551.5993480645079, 2.806, 2704.3975, 0.0, 59.025, 160.6, 63.275, 0.0, -0.35, 0.0, 58.975, 63.275, 160.875, 1510.61150...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000413086963405833796837
10004130869634058337968373586213297923270801380953189051052080369675495559971317665169144402230135861852331250645860213090456847294607878408999729297188313
2025-04-16T18:03:25
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.5795
unknown
-21.575027
null
null
null
null
null
CO_1262454965032901052980174
12624549650329010529801742586896896311304853425033447266911611968049900926229850738187156603604296944164742894565376763845508034295303545401805503893807587
2382562271740762324914383073776480680750267846977648074203382485222317915767809996291235455092473603344975562962510285357049039784931044891964863840524629
[ [ 2.93824674, 0, 0 ], [ -1.46912337, 2.54459632, 0 ], [ 0, 0, 10.59615751 ] ]
[ [ 0, 0, 0 ], [ 0, 0, 5.298078755 ], [ -1.4691233744304529e-8, 1.6963975551486545, 1.3062796751354362 ], [ -1.4691233744304529e-8, 1.6963975551486545, 3.9917990798645637 ], [ 1.4691233846912337, 0.8481987648513456, 6.604358430135436 ], [...
[ true, true, true ]
Li2Nb2O4
LiNbO2
A2BC
[ "Li", "Nb", "O" ]
[ 0.25, 0.25, 0.5 ]
[ 3, 3, 8, 8, 8, 8, 41, 41 ]
8
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_31368", "megnet_18201" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4255/MD_5375536106108196270144255.json
null
{"bulk-modulus": 154.19711113343357, "desc": [3223.5066666666667, 2240.8440666666665, 6.266666666666667, -24.87892666666667, 0.0, 30.026053666666666, 3.0, 458.09916646666665, 37.723216466588305, -1078.4966666666667, 19.51065, 2.2706933333333335, 13.135666666666665, 0.0, -38.67552666666666, 705.9879940165014, 2.96233333...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000408311849583933377572
10004083118495839333775724728395646332568305617496156561364628876356792724571484841087017980315806884491709992132649384255054050242680863121902979641227994
2025-04-16T16:52:33
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
4.4425
unknown
8.31764
null
null
null
null
null
CO_9933483980158977075162043
9933483980158977075162043571840705497465387654177093713961683466891999087523258090414606494856574827939511770712421263563862916093298839854013980207750187
10728324913237391560051187148813236529873325762027714344098933328521191146095207974034427738581331088043132515634743132029212880417421109765249107666546085
[ [ 7.12440625, -0.44159378, 0.9001625 ], [ 1.43442974, 6.99246488, 0.90016247 ], [ 0.16498502, 0.12627834, 7.68758377 ] ]
[ [ 3.9154904020009202, 0.24580697821749026, 7.822217973259084 ], [ 7.463928165563025, 2.96175555125885, 1.6656907807423669 ], [ 7.14391611709988, 4.609286047963348, 2.6494303571676445 ], [ 3.922224020775091, 6.010283333711291, 2.003767049736955 ], [ ...
[ true, true, true ]
C6As2N6
AsC3N3
A3B3C
[ "As", "C", "N" ]
[ 0.14285714285714285, 0.42857142857142855, 0.42857142857142855 ]
[ 33, 33, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7 ]
14
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_44170", "id_prop_275900", "megnet_30529" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9369/MD_3319336009106145866329369.json
null
{"desc": [1360.1113333333335, 1755.2606500000002, 2.9090000000000007, -23.052999999999997, 0.0, 21.78533333333333, 2.6666666666666665, 407.80734699999994, 38.75514905149051, -1647.3500000000001, 2.2801666666666662, 1.9458833333333334, 83.61566666666667, 0.0, -59.67527666666667, 829.96766034327, 3.3863333333333334, 1765...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000463301831895671037500
10004633018318956710375009998543041634018847018065656296486592031190392913360656196452387758318275121507353821603795276728611791113758970205057216564233373
2025-04-16T16:45:28
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
3.095
unknown
-14.924704
null
null
null
null
null
CO_5035988334274932254271820
5035988334274932254271820515474652125731162565020536488253098005828787351267002963485116205656334825552437394309476194119905416992927493296824785514255123
4304478645291449286629953244725477242700391847933697014478614874288328951558215564016121598397345444047950130508241676166707568554892864333747481375227032
[ [ 4.99733149, 0, 0 ], [ 0, 5.6434486, 0 ], [ 0, 0, 5.88572235 ] ]
[ [ 0.0522284107081774, 1.41086215, 1.4714305875 ], [ 4.9451030792918225, 4.23258645, 4.4142917624999995 ], [ 4.41889046997913, 1.41086215, 2.5719100513150632 ], [ 4.41889046997913, 1.41086215, 0.37095112368493655 ], [ 3.6709694000999358, 4.23258...
[ true, true, true ]
N2O6Rb2
NO3Rb
A3BC
[ "N", "O", "Rb" ]
[ 0.2, 0.6, 0.2 ]
[ 7, 7, 8, 8, 8, 8, 8, 8, 37, 37 ]
10
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_18248", "megnet_5145", "matbench_mp_gap_69627", "matbench_mp_e_form_68334" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/3384/MD_2397130419452159079463384.json
null
{"materials-project-version": "2019.7.30", "volume": 165.9902211619259, "hash": "2397130419452159079463384934000196550929676196897815343988791738832055257480449397472645689113250217548771872658588809204682640372311046880442376998403375", "id": "MD_2397130419452159079463384"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000454294071596555599277
10004542940715965555992779554919019315988253504799126226379620802322954993711999856044984854952432560773101353518366289448814077945513834680214454685237354
2025-04-16T21:30:02
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-119.589404
null
null
null
null
null
CO_1179968744569989487130397
11799687445699894871303977934859919482775490244897715515603527311465603342824792121491151070309857854818993155264026427213986448295808360030769106176772390
4243379012278051057288451241649738217461006683328890056741541763318252174500338240006635421851015232764465452731548256122889279607240489064656756100692846
[ [ 14.28148466, -0.04240191, 0 ], [ -0.04314267, 14.39857781, 0 ], [ 0, 0, 3.09524248 ] ]
[ [ 0.1999907673117162, 0.008796893769234301, 0 ], [ 0.0681648271282223, 4.862284393789302, 0 ], [ 0.1577510404797837, 9.57669660576039, 0 ], [ 2.4714293856543663, 2.084437681186969, 1.54762124 ], [ 2.179689172743805, 7.178022856523912, 1.547...
[ true, true, true ]
F18Fe18O18
FFeO
ABC
[ "F", "Fe", "O" ]
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
54
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_57729", "megnet_43404" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/3477/MD_2464658664267844615753477.json
null
{"desc": [1494.745, 1103.1242833333333, 5.760000000000001, -18.397601066666667, 0.3333333333333333, 17.299851066666665, 2.6666666666666665, 295.4909166133333, 79.78186925649153, -634.2766666666666, 4.173233333333333, 6.0640366666666665, 33.88666666666667, 0.0, -21.18476, 1338.9430004803517, 4.699, 1114.96, 0.0, 54.0666...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000444955822966996436461
10004449558229669964364611003898446347966984858734092514772380872828561422803277212625645217976331739937796352280053757385628972616620957490878984234026364
2025-04-16T17:21:11
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.3028
unknown
-0.807942
null
null
null
null
null
CO_7339258259084637381106667
7339258259084637381106667506395620554559038959566457666116918017338035385948430339459997236297127603256372852055075278505563011733156009447726902329510953
4080267988304704605036826479851215463328540826587342890618384665076377615081140017417819591137713054828308013530892156895825249379296202827603800680269402
[ [ 3.09200732, 0, 0 ], [ -1.54600366, 2.67775689, 0 ], [ 0, 0, 5.07334726 ] ]
[ [ -1.5460036615399866e-8, 1.7851712689258563, 4.441263693823024 ], [ 1.5460036754600366, 0.8925856210741436, 1.9045900638230246 ], [ -1.5460036615399866e-8, 1.7851712689258563, 2.5345887886769756 ], [ 1.5460036754600366, 0.8925856210741436, 5.0712624186769...
[ true, true, true ]
C2Si2
CSi
AB
[ "C", "Si" ]
[ 0.5, 0.5 ]
[ 6, 6, 14, 14 ]
4
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_52600", "megnet_38330", "matbench_mp_gap_64993", "matbench_mp_e_form_20787" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0184/MD_9196512985696962032910184.json
null
{"materials-project-version": "2019.7.30", "volume": 42.005508719514054, "hash": "9196512985696962032910184413337326722597028849707747216282689522704203710242856438172969874806308788402149691776145948188013705361974462910223277131378345", "id": "MD_9196512985696962032910184"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000545438184229145402436
10005454381842291454024360489815312181572452345061198387587270911062206666138883095527328827223837498151598287878753695137394893899834903487022786713734999
2025-04-16T17:26:05
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.8897
unknown
-104.535406
null
null
null
null
null
CO_6466399509424739846980546
6466399509424739846980546259668234337133588425468072549517125618897159704848425990952610699413033576981035935446004124188117309471230463703186867919620812
11331607340254327965982686516792880420322401570073581211670573680100275494503522594196796966638516769769658258468687295886112771785713116090011940028623370
[ [ 11.40879883, 0, 0 ], [ 0, 11.79332384, 0 ], [ 0, 0, 11.99537175 ] ]
[ [ 1.4287010598832401, 7.052111997691331, 1.7704122706583398 ], [ 1.4287010598832401, 10.637873762308669, 7.76809814565834 ], [ 1.3293243754105601, 1.5294412605710335, 10.237387764058118 ], [ 1.3293243754105601, 4.367220659428966, 4.239701889058118 ], [...
[ true, true, true ]
Bi8Li40S32
BiLi5S4
A5B4C
[ "Bi", "Li", "S" ]
[ 0.1, 0.5, 0.4 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 83, 83, 83, 83, 83, 83, 83, 83, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16...
80
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_60586", "megnet_46261", "matbench_mp_gap_26015", "matbench_mp_e_form_64749" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1610/MD_3029357937730396042921610.json
null
{"materials-project-version": "2019.7.30", "volume": 1613.9491905274172, "hash": "3029357937730396042921610018239509689748741167209297232441924160844002337910344580106885401681314798388515955476335780111987455772688553902265436102051278", "id": "MD_3029357937730396042921610"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000514512051807019863117
10005145120518070198631171824904369028927688356761838939579580485648102403944013795293664995441768584319027787759890580570786657054401580163151373683202833
2025-04-16T21:29:37
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-96.462822
null
null
null
null
null
CO_3156818739890337289396706
3156818739890337289396706143782739595069115833781718083589449859167491200590361814897532234680256782217367997612103530592081561443880787811594152557210388
978162338600089693631281304445466463150609240405828972838660759205529209233208377487151634051386400765008860811501799558029833738708089404198761723572311
[ [ 4.82159846, 0.07450462, 0.00601742 ], [ 0.08315081, 5.863709, -0.00873415 ], [ 0.01870964, -0.02615973, 16.05308668 ] ]
[ [ 4.800324243568451, 1.1074459651291004, 6.641247970488586 ], [ 4.81838903973466, 5.090209716739005, 4.01255840549185 ], [ 4.801918129543358, 1.0418803447065685, 1.464831821460728 ], [ 4.8037552762652656, 1.0501635055471905, 11.900911803846856 ], [ ...
[ true, true, true ]
F19Mn12O5
F19Mn12O5
A19B12C5
[ "F", "Mn", "O" ]
[ 0.5277777777777778, 0.3333333333333333, 0.1388888888888889 ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
36
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_68449", "megnet_54102" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4522/MD_8959352290930448874844522.json
null
{"desc": [1121.4116666666666, 836.4546166666668, 5.236666666666667, -18.008616066666665, 0.3333333333333333, 17.1536594, 2.6666666666666665, 298.10877686333333, 80.10566088631765, -537.426091954023, 4.6399, 5.9682666666666675, 34.446666666666665, 0.0, 2.3991480459770114, 1396.3116970615483, 4.553333333333334, 848.38, 0...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000564633841576723059373
10005646338415767230593734888101948670146311290889050065052608772315935001839645190477526072166826896038164886171651817812444948678390635288888476565798683
2025-04-17T17:45:49
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.9499
unknown
-158.595451
null
null
null
null
null
CO_1159589219403069676595991
11595892194030696765959919553313908340845607224567333450883890304938819488929076771360664672949945838688793345093968426152921276509549351418050149275892655
2991577571453542888130122933874400066502937781302381728449896115048373816399361075632021481845692835156107805916928550204980201344599779112427695478269251
[ [ 7.89549764, 0, -2.23807751 ], [ 0, 10.47738367, 0 ], [ -0.1216821, 0, 8.43012038 ] ]
[ [ 0.6659075949492212, 6.930390633256356, 4.762388870416558 ], [ 7.107903019560106, 3.546999427947682, 1.4296520375241202 ], [ 6.507350595445618, 8.751925065177517, 0.9730371386483077 ], [ 5.994377452247475, 6.0093760121973325, 2.6323676904750273 ], [ ...
[ true, true, true ]
Cr4Li16O32P8
CrLi4O8P2
A8B4C2D
[ "Cr", "Li", "O", "P" ]
[ 0.06666666666666667, 0.26666666666666666, 0.5333333333333333, 0.13333333333333333 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 15, 15, 15, 15, 15, 15, 15, 15, 24, 24, 24, 24 ]
60
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_29837", "megnet_16671" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/3129/MD_1026079160746903976533129.json
null
{"desc": [1766.8674999999998, 1299.9069, 5.055, -12.820065499999998, 0.0, 17.41182325, 2.75, 317.80665906, 33.56932196781732, -744.4475, 13.9092375, 2.019665, 42.2485, 0.0, -37.815645, 858.6802677272523, 2.90975, 1313.4575, 0.0, 41.400000000000006, 144.575, 45.45, 0.0, -0.35, 0.0, 51.175000000000004, 45.45, 177.6, 750....
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000519137461452697358896
10005191374614526973588966804522048757494222003108935228377306148659973945541230608673142780924181300948592161913415673643041078543480630295534501755658497
2025-04-16T21:51:46
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-21.264923
null
null
null
null
null
CO_1316526306526863496081226
13165263065268634960812261215561379378790246488961071305519952779181281355606155220655856669703814544491160398098974620970768614853054096360362587845110176
7682347615231517159575721999427002844306168370658825200942336164490727670110208004091213713719707178923668896289389023066518321270584544259418369148058103
[ [ 5.22067192, -0.00115953, -0.00070841 ], [ 8.77415087, 5.64101326, -0.0158076 ], [ 8.77415087, 4.10165672, 2.50485869 ] ]
[ [ 0, 0, 0 ], [ 4.387075435, 2.82050663, -0.0079038 ], [ 6.997411395, 2.0502485950000002, 1.2520751399999999 ], [ 11.38448683, 4.870755225, 1.2441713399999998 ], [ 3.4093580981013583, 0.9847503423138276, 0.6013814228089907 ], [ 7.803...
[ true, true, true ]
CrLi2O4Ti
CrLi2O4Ti
A4B2CD
[ "Cr", "Li", "O", "Ti" ]
[ 0.125, 0.25, 0.5, 0.125 ]
[ 3, 3, 22, 24, 8, 8, 8, 8 ]
8
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_62762", "megnet_48437" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0763/MD_3957383696867430856890763.json
null
{"desc": [2875.3675, 2052.395925, 4.3260000000000005, -18.638374999999996, 0.0, 22.54977525, 3.0, 313.33952175, 28.374984525598514, -1149.3725, 18.1117375, 1.654725, 48.85175, 0.0, -42.256645, 544.6142045531382, 2.5862499999999997, 2064.3625, 0.0, 56.175, 180.4, 66.525, 0.0, -0.35, 0.0, 56.125, 66.525, 180.674999999999...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000566030645874007227468
10005660306458740072274685773136759308924016519567114317925477372203207886973844816629390607254763372152120983040398072934264209041872742700428540619990689
2025-04-16T21:51:00
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
1.3592
unknown
-52.315722
null
null
null
null
null
CO_1336695454810494911379625
13366954548104949113796255365183961018789285049828483266954328735435652608923473485891328904677549086897804144271763757295330197718016963447763667517370132
7952145481085222374467828820292200838828076457768598490611556724205973221139122270060243129849332908170750035656382287248753477093327847317626341306072243
[ [ 2.52731085, 4.49733054, 0 ], [ 5.21256006, 0.02954633, 0 ], [ 0, 0, -10.24149462 ] ]
[ [ 6.887164998978649, 3.009493151540974, -7.956113800817426 ], [ 2.1163613360213507, 3.7660489884590262, -2.8353664908174268 ], [ 2.1697180240069858, 0.7337448756608734, -2.845674657567403 ], [ 4.306497460993015, 1.5444667243391268, -7.9664219675674035 ],...
[ true, true, true ]
Fe4Li6O12V2
Fe2Li3O6V
A6B3C2D
[ "Fe", "Li", "O", "V" ]
[ 0.16666666666666666, 0.25, 0.5, 0.08333333333333333 ]
[ 3, 3, 3, 3, 3, 3, 23, 23, 26, 26, 26, 26, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
24
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_58912", "megnet_44587" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8646/MD_6736241216015775032838646.json
null
{"desc": [2937.8675, 2129.8963249999997, 4.205, -20.984224999999995, 0.0, 24.01713525, 3.0, 296.9739335, 28.358011214935257, -1117.3725000000002, 16.0667375, 1.6366424999999998, 32.68175, 0.0, -40.756645, 540.023727740572, 2.63725, 2141.2475, 0.0, 77.89999999999999, 146.2, 80.07499999999999, 0.0, -0.35, 0.0, 77.85, 80....
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000695600757931298519518
1000695600757931298519518534670159649334428424351152642815067960057766189572598626132969025598098898570081278502433669234602496710343877113947941558750501
2025-04-16T18:06:19
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
2.052024
null
null
null
null
null
CO_1361422397191419350661000
1361422397191419350661000952872211971762205048274075513184627116908120170909675231167146331382087906683343973238401915649687929241666144240262817158868007
9528250921616979298420208126008763933593748605480995242028125811292821247384469731808460208841273987003753073531409162011659257752020183464618040037631752
[ [ 0, 3.12314502, 3.12314502 ], [ 3.12314502, 0, 3.12314502 ], [ 3.12314502, 3.12314502, 0 ] ]
[ [ 3.12314502, 3.12314502, 3.12314502 ], [ 1.56157251, 1.56157251, 1.56157251 ], [ 0, 0, 0 ] ]
[ true, true, true ]
BiCuTc
BiCuTc
ABC
[ "Bi", "Cu", "Tc" ]
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ 29, 43, 83 ]
3
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_45715", "megnet_31883", "matbench_mp_e_form_2777" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0665/MD_6353447069923431214300665.json
null
{"materials-project-version": "2019.7.30", "volume": 60.92653052068671, "hash": "6353447069923431214300665944045578576591839119106685952493819682093827307809455906276026972552511576767101130273845982247525926107404270647537685773998039", "id": "MD_6353447069923431214300665"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000604667384803804211036
10006046673848038042110360534873339415252462578365730403005641761101069288010471651312875674843106598918834864907130741719434529818013570284064615598941939
2025-04-16T21:30:02
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-287.161138
null
null
null
null
null
CO_1129014264368996313071721
11290142643689963130717214526510596208017580072206017515806113682520498539884583702713871509472584016253773775572815519205731296618983173099635721309114493
8430114033752460846548283122608175600990873992180137314695742555536985744170920022839217506426026880078011720665506508601203906458787213662432112399896685
[ [ 8.646496, 0, 0 ], [ 0, 8.68090343, 0 ], [ 0, 0, 24.13149034 ] ]
[ [ 0.32477605122368003, 5.412816737063046, 7.020600305310864 ], [ 0.32477605122368003, 7.608538407936956, 19.08634547531086 ], [ 1.2667246337440001, 8.0831513509641, 0.19713738403456202 ], [ 1.2667246337440001, 4.938203794035902, 12.262882554034563 ], [...
[ true, true, true ]
Cu16Li16O96S24
Cu2Li2O12S3
A12B3C2D2
[ "Cu", "Li", "O", "S" ]
[ 0.10526315789473684, 0.10526315789473684, 0.631578947368421, 0.15789473684210525 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16...
152
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_70795", "megnet_56409", "matbench_mp_gap_41171", "matbench_mp_e_form_81752" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8751/MD_1474915331795317588698751.json
null
{"materials-project-version": "2019.7.30", "volume": 1811.2951084164586, "hash": "147491533179531758869875165199030805336278358199925244253111310289431018049777945012673856953861331085935289981978544105164576916004706022362970515701393", "id": "MD_1474915331795317588698751"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000695306583286774059870
10006953065832867740598701055011788785274861583705207007296883827547200679956905618350646071690366344055846549656999061345824243701660987915215514400631844
2025-04-16T21:09:01
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.4992
unknown
-35.655267
null
null
null
null
null
CO_5582106641857285286536678
5582106641857285286536678749367183760968873650205489334781193742464081315647874326941630414304456589107366692896784564406341481122301756079044127492366034
9422956908691592576053958885943242498568779640307270443817832322584364889396289294559656713274033397537444887659694029792856772091034597114079297292825584
[ [ 1.46914993, 0.84821511, 4.82603602 ], [ 2.93894643, -5.09040166, -9.8e-7 ], [ 4.40650942, 2.54409828, 0.00038913 ] ]
[ [ 0, 0, 0 ], [ 1.469473215, -2.54520083, -4.9e-7 ], [ 4.403310683502067, 0.8542985627156108, 4.826230341277313 ], [ 4.411295096497933, -2.552386832715611, 0.0001938287226876 ], [ 1.4633824538037252, -0.8382233309790663, 2.4130177669770814 ...
[ true, true, true ]
Cr3FeLi4O8
Cr3FeLi4O8
A8B4C3D
[ "Cr", "Fe", "Li", "O" ]
[ 0.1875, 0.0625, 0.25, 0.5 ]
[ 3, 3, 3, 3, 24, 24, 24, 26, 8, 8, 8, 8, 8, 8, 8, 8 ]
16
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_62551", "megnet_48226" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6288/MD_1255530193029462076806288.json
null
{"desc": [2726.2675, 1945.895075, 4.5475, -21.520374999999994, 0.0, 24.27570525, 3.0, 284.99856424999996, 28.303961798325787, -1116.6225000000002, 15.9417375, 1.6972924999999999, 56.746750000000006, 0.0, -56.506645, 528.2167613713201, 2.679, 1956.9750000000001, 0.0, 79.2, 202.8, 81.375, 0.0, -0.35, 0.0, 79.15, 81.375, ...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000683233118630963549864
10006832331186309635498645415889477455182409563263706745267589834013674344034330919217332669395814456047460815527435565073633297709460661489027941631060851
2025-04-16T21:09:02
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
3.244153
null
null
null
null
null
CO_2453589037236885050861529
2453589037236885050861529919653872292950059582169984754596499966300834749978787540563093719330799507309682488794492368810799600807255527116919996984973835
60793391480832155839590963463761076145853914739067959506197997477816562627951108356878196099485070072635944152886277652117243543368654753400215521136838
[ [ 3.8253127, 0, 0 ], [ 0, 7.56717779, 0 ], [ 0, 0, 7.56717779 ] ]
[ [ 1.91265635, 1.321254138148929, 5.104843033148929 ], [ 1.91265635, 2.4623347568510705, 1.321254138148929 ], [ 1.91265635, 6.245923651851071, 2.4623347568510705 ], [ 1.91265635, 5.104843033148929, 6.245923651851071 ], [ 0, 3.783588895, 3.78...
[ true, true, true ]
Pd4Pu4Sn2
Pd2Pu2Sn
A2B2C
[ "Pd", "Pu", "Sn" ]
[ 0.4, 0.4, 0.2 ]
[ 94, 94, 94, 94, 50, 50, 46, 46, 46, 46 ]
10
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_46287", "megnet_32419", "matbench_mp_e_form_4789" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/7735/MD_9417062874402676612397735.json
null
{"materials-project-version": "2019.7.30", "volume": 219.0457432570139, "hash": "9417062874402676612397735771324755860827334995512014588201174199121080011851547219721021831272550091882377662145689573855435270253370417014085003445514335", "id": "MD_9417062874402676612397735"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000642474046442859105464
10006424740464428591054646457479789097544880321095235568373579968000339698711680356414608504721307811859249858475273417120901599065366971981670342208170455
2025-04-16T20:47:27
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.3164
unknown
-134.446451
null
null
null
null
null
CO_1305263863406288351110229
13052638634062883511102290575774755410629038367007741864576746016660448234725344118760454242410820250372605591098764852198153044031111214419923829926777703
6971973368126068233081690352786437097951643218132510420604601515107695034522607811152125577955595304627738861020871590155662095941268546968198806942296823
[ [ -5.79031509, -0.0333421, 0.09988635 ], [ 2.09517287, 7.98153449, -3.97939867 ], [ 0.22486007, -2.49192334, -12.1985266 ] ]
[ [ -4.715078709785081, 0.9006196183723295, -9.889055782310981 ], [ -4.584616985562637, -0.8307495412579226, -6.238648606352692 ], [ -0.8028192482076294, 1.7787797942079653, -2.1837172246255623 ], [ -0.5643334057951718, 4.578499258059019, -14.323323115063417...
[ true, true, true ]
B10Li5Mn10O30
B2LiMn2O6
A6B2C2D
[ "B", "Li", "Mn", "O" ]
[ 0.18181818181818182, 0.09090909090909091, 0.18181818181818182, 0.5454545454545454 ]
[ 3, 3, 3, 3, 3, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
55
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_69121", "megnet_54774" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1470/MD_1659562416664293969201470.json
null
{"desc": [2308.3675000000003, 2059.965825, 2.8812499999999996, -11.64236125, 0.0, 13.486908999999999, 2.5, 204.84408118750002, 28.566506072310816, -1087.4845689655174, 12.8756125, 1.4947899999999998, 76.955, 0.0, -23.31871396551724, 587.1954114667919, 2.57075, 2070.33, 0.0, 67.725, 229.14999999999998, 86.32499999999999...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000656002964249664182748
1000656002964249664182748188366901437699252891830749739079310086571952506489930656622178205946959498633821687689501640277983102046058155049487560204927062
2025-04-16T17:19:02
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
3.6592
unknown
-44.239771
null
null
null
null
null
CO_2208343891941433001291637
2208343891941433001291637616894551222870068158948644593502001226376632805075448681653269838908071721131911339537629337460596529560668187395464901662968300
4128020746596659096403607018789185881699873781954000933166330668984289584173050659379103438660707102442493256724301701314238785978730622833122368866555516
[ [ 0, 4.13178742, 0 ], [ 2.06589421, -2.06589421, 10.51637785 ], [ 4.13178742, 0, 0 ] ]
[ [ 2.06589371, 2.06589371, 0 ], [ 2.06589389651612, 2.0658935234838802, 3.922947986071884 ], [ 4.13178773348388, -3.134838800165415e-7, 6.593429863928115 ], [ 2.06589411057326, 2.06589330942674, 8.425159517532581 ], [ 4.131787519426741, -9.94267...
[ true, true, true ]
Hf2O7Sr3
Hf2O7Sr3
A7B3C2
[ "Hf", "O", "Sr" ]
[ 0.16666666666666666, 0.5833333333333334, 0.25 ]
[ 38, 38, 38, 72, 72, 8, 8, 8, 8, 8, 8, 8 ]
12
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_68339", "megnet_53993" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9964/MD_1066350225449562708399964.json
null
{"bulk-modulus": 136.0, "desc": [3640.64, 2207.1828333333333, 1.6112, -72.45646666666667, 0.0, 85.32381, 4.333333333333333, 1883.4926613333334, 37.910471143016046, -1194.6000000000001, 25.563733333333335, 1.6327283333333333, 22.36, 0.0, -10.342193333333332, 733.552349483648, 2.383433333333333, 2228.646666666667, 0.0, 3...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000702316408097677410414
10007023164080976774104141843036787692193441170132430929015089342098958822094669444295521118538227314609393157805770973033401348399882395365891013292982692
2025-04-17T18:48:22
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
3.0775
unknown
-83.123102
null
null
null
null
null
CO_5834565228873253874991646
5834565228873253874991646138418721693402377325225146104893396751200624936189492007288567205961876239153841057149545342043091370400451386201045808292142302
606784694836373720166138899392310902873925329808007766907746070588973199988634190120192685598751766158088433969360132843943040014451851810458235596314155
[ [ 6.9445657, -0.02626935, 0 ], [ -3.32533469, 6.9426055, 0 ], [ 0, 0, 9.01559958 ] ]
[ [ -1.876894243311069, 6.158957846676485, 4.93891223851623 ], [ 3.8334579083110696, 4.228681053323514, 0.43111244851623 ], [ 5.49612525331107, 0.7573783033235141, 4.07668734148377 ], [ -0.21422689831106917, 2.6876550966764863, 8.58448713148377 ], [ ...
[ true, true, true ]
Ge4Na4Nb4O20
GeNaNbO5
A5BCD
[ "Ge", "Na", "Nb", "O" ]
[ 0.125, 0.125, 0.125, 0.625 ]
[ 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 11, 11, 11, 11, 32, 32, 32, 32, 41, 41, 41, 41 ]
32
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_19811", "megnet_6701" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2012/MD_8036640237352285076602012.json
null
{"desc": [3318.955, 2339.2244, 6.281499999999999, -34.73388732, 0.0, 42.78003582, 3.5, 705.1763982196001, 28.305262489997254, -1089.2675, 18.48605, 2.277735, 19.9835, 0.0, -56.006645, 533.8663810165777, 2.99225, 2355.45, 0.0, 46.575, 95.625, 49.65, 0.0, -0.35, 0.0, 46.525, 49.65, 95.89999999999999, 1095.77025, 1.17165,...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000775477217170206857969
10007754772171702068579692570601447875805974172611848787685854299888847576603743972039416634283657342634406735307683401732655210592322063285674645086031541
2025-04-16T21:12:41
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
4.9511
unknown
-153.95119
null
null
null
null
null
CO_8358714680355350030307842
8358714680355350030307842020223832349235898044833630249353560122169109070632542958270434225503371547547698682275487759097953052698881650994490161813468521
6876729409769148751423613514110679100641760086000313825933010256408822119298525973161340517849250465442349784493144796122839148181580604137630782523524860
[ [ 8.16229247, 0, 0 ], [ 0, 9.36741017, -1.8329879 ], [ 0, -0.01015491, 11.33563158 ] ]
[ [ 3.7361207451800698, 2.8357621009001814, 5.947088639477665 ], [ 7.8172588178876, 1.8327106190998186, 10.139864780522334 ], [ 4.426179887112401, 6.521493159099819, 3.5555550405223344 ], [ 0.34502548981993025, 7.524544640900181, -0.6372211005223345 ], [...
[ true, true, true ]
Ni4O44P16
NiO11P4
A11B4C
[ "Ni", "O", "P" ]
[ 0.0625, 0.6875, 0.25 ]
[ 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, ...
64
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_32593", "megnet_19421" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5771/MD_9733094584073416392975771.json
null
{"desc": [1635.0733333333335, 1275.5208, 7.09, -21.565520666666668, 0.0, 24.640674, 3.0, 397.2375064133333, 44.72837532186349, -693.3666666666667, 4.4304, 2.8554666666666666, 41.77133333333333, 0.0, -23.754193333333333, 1141.727021041518, 3.5966666666666662, 1289.0566666666666, 0.0, 58.53333333333334, 110.2, 63.9333333...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000724013763941100045285
100072401376394110004528573079388338377963167142032475948533553059743366443103466050630321335652418325790571373378462433938510625999885916851127858005499
2025-04-16T15:14:02
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.1304
unknown
-59.257752
null
null
null
null
null
CO_4653689940647617986902792
4653689940647617986902792562985555799583222707313384492242519650264561100621074575938190311358353889475530375248743972571637136201961859242848641532120129
9910175838876625097172083820054075655493965695175001312647254764922046484388793621462289790809169109459848499992915150449598333767807903110235888667604530
[ [ 5.21905347, -0.1820485, 0 ], [ 0.21870186, 5.44059069, 0 ], [ 0, 0, 7.55511634 ] ]
[ [ 0.23155193101398241, 5.211454433811194, 1.888779085 ], [ 2.6170431574711985, 2.2781869263818013, 1.888779085 ], [ 2.820712172528802, 2.9803552636181982, 5.666337255 ], [ 5.206203398986018, 0.047087756188805785, 5.666337255 ], [ 0.10935093, 2....
[ true, true, true ]
Mg4O12Ta2V2
Mg2O6TaV
A6B2CD
[ "Mg", "O", "Ta", "V" ]
[ 0.2, 0.6, 0.1, 0.1 ]
[ 12, 12, 12, 12, 73, 73, 23, 23, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
20
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_81425", "megnet_66427" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8131/MD_3678042817222582701558131.json
null
{"desc": [3844.1425, 2716.216925, 3.0975, -55.415945, 0.0, 59.15843375, 3.75, 751.2843405, 28.35995909935218, -1603.95, 13.0915500000125, 1.5350449999999998, 28.01, 0.0, -53.256645, 548.9019824490342, 2.5265, 2728.6825, 0.0, 83.2, 155.77499999999998, 85.925, 0.0, -0.35, 0.0, 83.15, 85.925, 156.04999999999998, 1612.1435...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000734695922805355790844
10007346959228053557908448214283111782330238223345443473591441623520297037888292653863207105598991359956024369752350182074903212159403947709951402213617856
2025-04-16T21:17:32
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.3316
unknown
-25.932079
null
null
null
null
null
CO_1147684433067013356002617
11476844330670133560026172502674701772954828331239935874506180152582127463493835639210076164085286777503470430883870539664094769361895546470182562843353332
3578193210557678291127637399884545346762320774287728319698596418339119166161538794358972909523632438735217563247110454125147775090924585396247054972318334
[ [ 6.48654204, 0, -0.0797974 ], [ 0, 9.30436649, 0 ], [ -0.07176827, 0, 13.44330026 ] ]
[ [ 2.164109175509883, 7.978003738973647, 5.495478777759161 ], [ 5.371496060509883, 5.9785459960263525, 12.177230207759163 ], [ 4.250664594490117, 1.3263627510263527, 7.8680240822408365 ], [ 1.0432777094901171, 3.3258204939736467, 1.1862726522408376 ], [...
[ true, true, true ]
K8S12Te4
K2S3Te
A3B2C
[ "K", "S", "Te" ]
[ 0.3333333333333333, 0.5, 0.16666666666666666 ]
[ 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 19, 19, 19, 19, 19, 19, 19, 19, 52, 52, 52, 52 ]
24
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_28231", "megnet_15072" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4757/MD_8476014082074106451704757.json
null
{"desc": [1584.5566666666666, 1003.6947866666666, 7.45, -38.94443333333333, 0.0, 58.35100889999999, 4.0, 1634.9471173333332, 7.092953929539296, -476.18333333333334, 35.23533333333334, 3.1836933333333337, 12.277666666666667, 0.0, -28.06833333333333, 712.8969970189702, 3.2953333333333332, 1030.9333333333334, 0.0, 11.7999...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000722725753132549901391
10007227257531325499013916938025758785529885694328971857166908032716989826319044720213387020858452777294525490488940286868665293648705794881473503971692591
2025-04-16T18:53:17
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.1504
unknown
-51.856893
null
null
null
null
null
CO_5085011105558107922985826
5085011105558107922985826740107046724505065608932124793468459047061063723781602119610286341269997629501683634943282714611212978567449008191895450261809306
7536192286074768239833593798013613059992982355749093864948447347582295188497559253186502041506111721210204623571116554411614577421053305882231332555541090
[ [ 6.95430662, 0, 0 ], [ -3.47715331, 6.02260634, 0 ], [ 0, 0, 26.96817724 ] ]
[ [ 0, 0, 6.74204431 ], [ 0, 0, 20.22613293 ], [ -0.0000034771533099998617, 4.01507290086878, 0.0414544033262384 ], [ -0.0000034771533099998617, 4.01507290086878, 13.442634216673762 ], [ -0.0000034771533099998617, 4.01507290086878, 6.74204431...
[ true, true, true ]
Br24Li8U4
Br6Li2U
A6B2C
[ "Br", "Li", "U" ]
[ 0.6666666666666666, 0.2222222222222222, 0.1111111111111111 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 92, 92, 92, 92, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]
36
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_48529", "megnet_34528" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2349/MD_4623728233084620726222349.json
null
{"desc": [3357.85, 2049.0580833333333, 6.3146666666666675, -93.19463666666665, 0.3333333333333333, 100.49143033333333, 5.0, 1547.9513419666666, 11.236746550472041, -701.2633333333333, 27.45608333333333, 3.397413333333334, 44.18, 3.6666666666666665, -30.373333333333335, 757.461892519971, 3.0540000000000003, 2064.0966666...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000728809069209409327443
1000728809069209409327443975043036017862044092985093285523827487856002816747512250430152573865629500977739702261684700372495706522238933786031606005695205
2025-04-16T18:22:53
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.0191
unknown
-12.503811
null
null
null
null
null
CO_6762301819050058383664438
6762301819050058383664438992249172720170611064470328597469560773556580546626498229178167671577060909052714224166310120210086032344288230864140401438332779
9669491242194223107809113264402521450559894982199532078542462397044194606477040483024756216046662694976091938976238011129613867505215096948272170955393803
[ [ 4.68430644, 0, 0 ], [ -2.34215322, 8.65000981, 0 ], [ 0, 0, 9.77219587 ] ]
[ [ 2.34215322, 6.116318309533477, 4.930691494135529 ], [ 4.0661544670305714e-17, 2.533691500466524, 0.044593559135529696 ], [ 2.34215322, 6.116318309533477, 9.72760231086447 ], [ 4.0661544670305714e-17, 2.533691500466524, 4.84150437586447 ], [ -2.30...
[ true, true, true ]
La4Rh4Sn8
LaRhSn2
A2BC
[ "La", "Rh", "Sn" ]
[ 0.25, 0.25, 0.5 ]
[ 45, 45, 45, 45, 50, 50, 50, 50, 50, 50, 50, 50, 57, 57, 57, 57 ]
16
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_19915", "megnet_6805" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5610/MD_6274072322637218265525610.json
null
{"desc": [5608.133333333332, 3528.7998000000002, 8.096333333333334, -104.52032333333334, 0.0, 113.38041666666668, 6.0, 1965.3123044333333, 0.35923459624952164, -1302.0266666666666, 27.497333333333334, 1.7107466666666664, 58.32, 0.0, -67.0, 38.07369052175022, 2.6633333333333336, 3544.3199999999997, 0.0, 70.5666666666666...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000791056637621338173778
10007910566376213381737782430451123964022295144966479633637439838894546013822086135451420563987432580718519596882935797770463385586046602509114226034675704
2025-04-16T16:55:31
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.5404
unknown
-146.608845
null
null
null
null
null
CO_6773399570333046768149247
677339957033304676814924767715120150367213077631009289956213246706050618044154673811703073403685942964669911549376058294919984240369798003627498590671419
9002016095174292009044085200233060604109452927186466738235519725539852474918388254836226436511952753717700963052206824242689702367381574930521762661153377
[ [ 10.04316563, -2.1e-7, 0 ], [ -5.02158263, 8.69763697, 0 ], [ 0, 0, 6.97645704 ] ]
[ [ -0.000004898249419991801, 5.79842747587906, 3.5094856450717393 ], [ 5.021587898249421, 2.8992092841209396, 0.0212571250717392 ], [ -1.931859536803179, 7.815130398100144, 3.0351938642610143 ], [ -1.9448821048421663, 7.961194684923032, 0.4224091953310824 ...
[ true, true, true ]
Ba2O24Se2Si6Sm8
BaO12SeSi3Sm4
A12B4C3DE
[ "Ba", "O", "Se", "Si", "Sm" ]
[ 0.047619047619047616, 0.5714285714285714, 0.047619047619047616, 0.14285714285714285, 0.19047619047619047 ]
[ 56, 56, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 34, 34, 14, 14, 14, 14, 14, 14, 62, 62, 62, 62, 62, 62, 62, 62 ]
42
5
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_31436", "megnet_18268" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1653/MD_1190964337888286072921653.json
null
{"desc": [2618.834, 1688.18572, 5.611, -61.350379999999994, 0.0, 73.6708832, 4.6, 2031.5150067999998, 24.798833516621325, -909.1600000000001, 29.90694, 2.6140909999999997, 23.917400000000004, 1.6, -29.309316000000003, 636.3928574791148, 3.0571, 1708.836, 0.0, 22.08, 57.42, 22.74, 0.0, -2.1, 0.0, 22.04, 22.74, 57.64, 91...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1000737028447281973202523
10007370284472819732025237630254640239373304728726234434716532030765043236135227459328789108532432052061009068102885303627486840893838646390897066697173477
2025-04-16T21:43:16
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-0.821102
null
null
null
null
null
CO_7002862998320785619828677
7002862998320785619828677586862485694365097182264505882314854215487841826252862248813767928450622782668086701437145495985215153269917717491077868279764896
7367125678510564723936137411565758064631090537840413195482444710559119432434377832469477920677786788953784806593485941627047738563565301464033173219712125
[ [ 0, 3.28447581, 0 ], [ -0.19919492, 0, 5.6943823 ], [ 5.57957425, -1.6422379, -2.18385124 ] ]
[ [ 4.362659995584958, 3.9435714629417026e-9, -0.63527154714289 ], [ 1.017719334415042, 1.6422379060564283, 4.14580260714289 ], [ 1.6790469076096166, 1.562969843435311e-9, 1.1781943189093609 ], [ 3.7013324223903834, 1.6422379084370302, 2.3323367410906393 ]...
[ true, true, true ]
C3Pu2W2
C3Pu2W2
A3B2C2
[ "C", "Pu", "W" ]
[ 0.42857142857142855, 0.2857142857142857, 0.2857142857142857 ]
[ 94, 94, 74, 74, 6, 6, 6 ]
7
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_3336", "megnet_2051" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1034/MD_6561503332038530680521034.json
null
{"desc": [292.9333333333334, 3407.8990333333336, 85.49233333333332, -3393.363566666667, 0.4266666666666667, -3274.09121, -3330.3333333333335, -2731.4995323333333, -3332.9732492997196, -5827.0, -3327.615333333333, -3331.0735299999997, -3212.6510000000003, -3333.0, -3432.0, -3316.7072829131653, -3330.588333333333, 47.920...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001691980340735053652156
10016919803407350536521568383322302718164954074546991191929165516857268371008139565839565975364421568238480594465486211252049369630855661856202765996062131
2025-04-16T21:30:02
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-96.446624
null
null
null
null
null
CO_3440959741545415460674304
344095974154541546067430440810466865928573815759450937069277271311642843530638054912344224262886460145744019307422524514351504493298654322425217110072872
11926425638601524012410677885011582127749389433527534395583235224407726833901030908764179687634212010000392870429870117748726979339091286248050935689367677
[ [ 4.84604421, 0.05843115, 0.00740957 ], [ 0.06703283, 5.87380415, -0.0140002 ], [ 0.02498945, -0.04103931, 16.00106585 ] ]
[ [ 0.1853709079647124, 1.1119152166295252, 6.771956306911965 ], [ 4.8276826447239465, 5.072575461236565, 4.040983659358664 ], [ 0.0600470955231549, 0.9935904786461708, 1.4956547343708164 ], [ 4.797105546806052, 0.9707914843319779, 11.936783087491538 ], ...
[ true, true, true ]
F19Mn12O5
F19Mn12O5
A19B12C5
[ "F", "Mn", "O" ]
[ 0.5277777777777778, 0.3333333333333333, 0.1388888888888889 ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
36
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_70331", "megnet_55949" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/9570/MD_9937922129520237893419570.json
null
{"desc": [1121.4116666666666, 836.4546166666668, 5.236666666666667, -18.008616066666665, 0.3333333333333333, 17.1536594, 2.6666666666666665, 298.10877686333333, 80.10566088631765, -537.426091954023, 4.6399, 5.9682666666666675, 34.446666666666665, 0.0, 2.3991480459770114, 1396.3116970615483, 4.553333333333334, 848.38, 0...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001849929405279013630125
10018499294052790136301256270030661236987173891495589152006371792530801983593365451092229222530011907512780402473929002333787967048397850863921659724278056
2025-04-16T15:45:17
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.0042
unknown
-103.371013
null
null
null
null
null
CO_1006717904880624847873708
10067179048806248478737084331069504405580602789738078024522575334518312705458479009870066864387195087665489032806974250753379263313496295101604084824808670
12038984490242951422333189437717429676534025903724854934940966721304608296089201153080270555701286884619176147276474189230096969021358994990022506722135729
[ [ 8.69130717, -0.0626498, -0.04422157 ], [ 4.3228876, 7.5402515, -0.04422056 ], [ 4.32288861, 2.48381284, 7.1195509 ] ]
[ [ 2.520980613273287, 1.4484865986794742, 1.022391627846332 ], [ 6.158320644043174, 3.5384028247981956, 2.497526333567418 ], [ 11.18507048700297, 6.426635976653893, 4.536140564736371 ], [ 0.016635798357279, 0.009558475321857, 0.0067467004202535 ], [ ...
[ true, true, true ]
Mn2NbO24P6Ti3
Mn2NbO24P6Ti3
A24B6C3D2E
[ "Mn", "Nb", "O", "P", "Ti" ]
[ 0.05555555555555555, 0.027777777777777776, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]
[ 22, 22, 22, 25, 25, 41, 15, 15, 15, 15, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
36
5
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_67037", "megnet_52692" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2836/MD_2234512511107083651302836.json
null
{"desc": [3226.074, 2310.39164, 3.4248, -35.8969174, 0.0, 39.5117714, 3.6, 544.8397238780001, 27.14878176349535, -1309.3096551724138, 12.09524, 1.584368, 42.090799999999994, 0.0, -9.702171172413793, 748.0177681064662, 2.6774, 2322.88, 0.0, 81.70000000000002, 189.12, 91.47999999999999, 0.0, -0.27999999999999997, 0.0, 89...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001826509988458501452969
10018265099884585014529697713723776727920526556958647385948789014250018849518875305631153994015412566167548787545055102498221384186057327676970168867478505
2025-04-16T18:28:12
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
3.1406
unknown
-17.544468
null
null
null
null
null
CO_6882668750499967726836615
6882668750499967726836615125990611644061218920016504282794920961312085637513041931061552162353487434559981540627728078948513155927989157536806943771092312
5033984017532139823187841737146808262110610370423238558769819199848977917479898825888448845791642227560527949852955956330675368814846629365908702818885406
[ [ 4.42386374, 8.16137418, -0.87664023 ], [ -4.42386374, 8.16137418, 0.87664023 ], [ -0.06265719, 0, 6.95850935 ] ]
[ [ -1.9125378994616609, 7.898811428319289, 5.468440586778373 ], [ 1.8185521144616608, 7.89881142831929, 4.969323438221627 ], [ 1.84988070946166, 8.423936931680709, 1.4900687632216272 ], [ -1.8812093044616602, 8.423936931680709, 1.9891859117783728 ], [ ...
[ true, true, true ]
C4H16Au2Br2N8S4
AuBrC2H8N4S2
A8B4C2D2EF
[ "Au", "Br", "C", "H", "N", "S" ]
[ 0.05555555555555555, 0.05555555555555555, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222, 0.1111111111111111 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 79, 79, 6, 6, 6, 6, 16, 16, 16, 16, 35, 35, 7, 7, 7, 7, 7, 7, 7, 7 ]
36
6
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_53413", "megnet_39095" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8329/MD_3137063360667356269008329.json
null
{"desc": [1398.1956666666665, 1429.648185, 9.121833333333335, -43.365151499999996, 0.16666666666666666, 44.19478766666666, 3.0, 725.6995392150001, 30.944829037452422, -973.2583333333333, 2.7146997083333333, 4.361021666666668, 44.74216666666666, 0.0, -71.92188833333333, 1109.8898150336518, 4.280166666666667, 1442.046666...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001892227609610191273671
10018922276096101912736717142939701438222759752509600975229623841733661633914154641758040424779920567050083738638180961345294272282627573890177562623365200
2025-04-16T20:11:06
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-29.929025
null
null
null
null
null
CO_1680976117516156020952339
1680976117516156020952339809097780533633330815821650605562470425640197619343329313716902819730484630173202329073285558960594132485080871713755236496637086
6044585029135309217204103581133583825145525572455305621627281123667677006052404347404897631681360730384127910435127916885426254318118332638367955711721420
[ [ -0.01167461, 4.18420647, 4.18420647 ], [ 4.18420647, -0.01167461, 4.18420647 ], [ 4.18420647, 4.18420647, -0.01167461 ] ]
[ [ 1.0191015651872346, 1.0191015651872346, 1.0191015651872346 ], [ 7.337636764812767, 7.337636764812767, 7.337636764812767 ], [ 4.18420647, 2.08626593, 2.08626593 ], [ 2.08626593, 4.18420647, 2.08626593 ], [ 2.08626593, 2.08626593, 4.1842064...
[ true, true, true ]
CrLi2Mn3O8
CrLi2Mn3O8
A8B3C2D
[ "Cr", "Li", "Mn", "O" ]
[ 0.07142857142857142, 0.14285714285714285, 0.21428571428571427, 0.5714285714285714 ]
[ 3, 3, 25, 25, 25, 24, 8, 8, 8, 8, 8, 8, 8, 8 ]
14
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_63061", "megnet_48736" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0868/MD_7207679563616117945310868.json
null
{"desc": [2446.2675, 1745.892825, 4.155, -21.228636249999997, 0.0, 24.166061499999998, 3.0, 286.9619594375, 28.54680552069537, -1043.9845689655174, 16.2917375, 1.625465, 57.16675, 0.0, -38.81871396551724, 571.2432838072175, 2.56975, 1757.0400000000002, 0.0, 93.02499999999999, 241.52499999999998, 95.19999999999999, 0.0,...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001759987234408562721597
10017599872344085627215972928915901198631670852351239763567777865276285237349013640306810189256989968519321415219819727866355529660477069784221763252000687
2025-04-16T17:56:50
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-1.051706
null
null
null
null
null
CO_9052791651760361693339153
9052791651760361693339153956913088135086999565888755473912284691826596203471065978726478514741341457298653705701739244746847142821464879788364541776905703
11436420641842347418468152719964798068425112681416017314514638635553476151306057077015331562071674900552641105951645518351546607244627163573441204983455341
[ [ 5.09310744, -0.00064783, 0.00004453 ], [ -2.54711473, 4.41250496, -0.00001049 ], [ 0.0000359, 0.0000108, 4.10956439 ] ]
[ [ -0.00019427227955719155, 1.4741127863357262, 1.0274305791222675 ], [ 1.2698105827961965, 3.675131724491234, 1.0274465735625338 ], [ -1.270716410080073, 3.675424075355271, 1.0272232390918918 ], [ 2.546126268369855, 2.9375363558938585, 3.082165959049234 ...
[ true, true, true ]
As2Ni6
AsNi3
A3B
[ "As", "Ni" ]
[ 0.25, 0.75 ]
[ 28, 28, 28, 28, 28, 28, 33, 33 ]
8
2
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_76213", "megnet_61362" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/5487/MD_9138218911406498481535487.json
null
{"desc": [2660.5750000000003, 2036.7096, 8.670000000000002, -57.037499999999994, 0.0, 58.0933, 4.0, 678.512113, 0.11593406593406594, -1400.5, 7.068249999999999, 1.9198000000000002, 59.129999999999995, 0.0, -62.0, 20.394505494505495, 2.995, 2046.27, 0.0, 100.95, 188.85, 106.75, 0.0, 9.45, 0.0, 100.95, 106.75, 188.85, 14...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001796719531549156604569
1001796719531549156604569833866580555615591153169360160644800400116997248680680570563909521540110596510100753788953137050936019871834096108905734819365801
2025-04-16T21:29:37
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.7309
unknown
-16.963791
null
null
null
null
null
CO_1610375278638490761771937
1610375278638490761771937267016390791555615929073363855233296557693412119157743872413158108607372113639653941041105690827158100479750910936117104244941605
6023454042421627801546640546304091866994426311652667212968879316492119653034943202070420788987559637822561047489598716162093010600902720834720073854630425
[ [ 7.07333759, 0, -1.03339018 ], [ 0, 7.50285569, 0 ], [ 0.0325495, 0, 12.81085647 ] ]
[ [ 6.011785283538706, 6.604757711565334, 1.711707183755951 ], [ 6.028060033538706, 0.8980979784346658, 8.117135418755952 ], [ 1.0941018064612942, 0.8980979784346658, 10.065759106244048 ], [ 1.0778270564612942, 6.604757711565334, 3.6603308712440485 ], [ ...
[ true, true, true ]
Br12Nb4Se4
Br3NbSe
A3BC
[ "Br", "Nb", "Se" ]
[ 0.6, 0.2, 0.2 ]
[ 34, 34, 34, 34, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 41, 41, 41, 41 ]
20
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_24617", "megnet_11474" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/0242/MD_4108518700214186266410242.json
null
{"desc": [2919.383333333333, 2102.47325, 10.448, -68.24679333333333, 0.3333333333333333, 74.48178, 4.333333333333333, 1294.400138466667, 14.377967711301045, -1163.6000000000001, 10.202666666666666, 5.319420000000001, 18.206666666666667, 0.0, -11.88, 1071.9753086419753, 4.389, 2118.0099999999998, 0.0, 55.06666666666667,...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001707977444853319458324
10017079774448533194583242926092381881232489739622422859795055816621090877110260168306784770819062602830995365346880260087100753822888267032067995764906910
2025-04-16T21:23:51
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-5.904197
null
null
null
null
null
CO_1249246146102899037377189
12492461461028990373771891819925507052545659029068750638151977246537825809892013075080781133532243027269676305614588735258195739224986709867238183809206402
8794520605024804646348613487860595695049548268612044018182043402926324773560267386861145204996631261871904801873575566146478572380496222443462489124328110
[ [ 3.37935733, 0, 0 ], [ -1.68967867, 2.92657364, -0.00001414 ], [ 0, -0.00018263, 38.49260983 ] ]
[ [ 1.6896803699089777, 0.9753349518897108, 16.19825480937477 ], [ 1.6896803361153914, 0.9753247792298718, 19.95842041269911 ], [ -3.3330780885622722e-9, 1.9508826073402934, 3.6152345808150708 ], [ -3.3331046772301127e-9, 1.9508295535041689, 18.0788296449535...
[ true, true, true ]
Mo2Se6Te2W2
MoSe3TeW
A3BCD
[ "Mo", "Se", "Te", "W" ]
[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]
[ 52, 52, 42, 42, 74, 74, 34, 34, 34, 34, 34, 34 ]
12
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_5155", "megnet_2787" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/2596/MD_1314193499739645580202596.json
null
{"desc": [4464.325, 3240.03465, 8.5775, -107.6525, 0.0, 113.1553875, 5.0, 1637.0253000000002, 2.8532043143765526, -1944.415, 11.395125, 3.0936749999999997, 75.0, 0.0, -70.63, 308.3641232896036, 3.6317500000000003, 3253.6825, 0.0, 103.1, 259.125, 96.15, 0.0, -5.574999999999999, 0.0, 103.1, 96.15, 259.125, 1950.57575, 1....
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001762407608610408716521
10017624076086104087165217996792790137863459930558097596638396001950278471043966748925494714085722967327157150899798554482904538824225452402592779177945334
2025-04-16T21:38:17
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
2.0169
unknown
-48.015791
null
null
null
null
null
CO_1110991436582122545299549
11109914365821225452995497195494181391796005223457691447728256309994916958707067647592722265062635660671407729573650459291337557975223823470974898495653310
6759140359667899105543661929366488116415953049173314206470696701438411013614347872864300044557778353621084381984473291878186005630226201301174286380873984
[ [ 10.19147482, 5e-8, 0 ], [ -5.09573746, 8.82607607, 0 ], [ 0, 0, 5.75021648 ] ]
[ [ 0, 0, 0.11959489992247839 ], [ 0, 0, 2.994703139922478 ], [ 5.095737444290708, 2.942025360579746, 3.8127155958650447 ], [ -8.429070748150312e-8, 5.884050759420253, 0.9376073558650447 ], [ -3.312457392271908, 7.329669686774181, 1.566408996...
[ true, true, true ]
Na2S14Si2Sm6
NaS7SiSm3
A7B3CD
[ "Na", "S", "Si", "Sm" ]
[ 0.08333333333333333, 0.5833333333333334, 0.08333333333333333, 0.25 ]
[ 11, 11, 14, 14, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 62, 62, 62, 62, 62, 62 ]
24
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_17540", "megnet_4439" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1405/MD_1137680162158936206541405.json
null
{"desc": [2532.3925, 1780.8753775, 6.7540000000000004, -40.53756732000001, 0.0, 51.05145082, 4.25, 1096.8925233696, 5.138579916018941, -939.5575, 26.41525, 2.1936100000000005, 25.790000000000006, 2.0, -67.55125, 502.9490752367552, 2.736, 1798.5549999999998, 0.0, 21.525, 63.24999999999999, 24.4, 0.0, -0.75, 0.0, 21.525,...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001912855665573463898252
10019128556655734638982520381946329016817163776217310340770187535312868007371938579758780486235708267121673273181133512833835344242558631817503422973421029
2025-04-16T21:12:44
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-84.969045
null
null
null
null
null
CO_2399941354616127042004992
2399941354616127042004992581772387434297065180546912711468727835620987877788667574737303214865607369424748902958063213989635046785790134260494394750127523
9321967579641311890728961282156178251203974709533029269292467460413383808758545537580653195277311748226213292310870559840543724134180505881129248068589500
[ [ 5.97079007, -1e-8, -1.74270854 ], [ -1.05506082, 8.13227735, -3.61480155 ], [ -0.00144279, -0.00649476, 11.09483962 ] ]
[ [ 4.687939470521494, 6.462276965204127, -0.5880623078606665 ], [ 3.7635608795922684, 1.2860479314978353, 1.7947632491871508 ], [ 1.138329578490112, 6.589426555274884, -1.649795923983938 ], [ 0.7781658445922683, 1.2860479364978352, 2.666117519187151 ], ...
[ true, true, true ]
As2Mn14O24Sb2
AsMn7O12Sb
A12B7CD
[ "As", "Mn", "O", "Sb" ]
[ 0.047619047619047616, 0.3333333333333333, 0.5714285714285714, 0.047619047619047616 ]
[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 51, 51, 33, 33, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
42
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_51496", "megnet_37318" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/1472/MD_5535999332130487538331472.json
null
{"desc": [1759.6925, 1292.9434, 3.3225, -52.94226125, 0.0, 57.04249625, 3.75, 966.6483336875001, 28.56788134464197, -886.5070689655173, 7.041924999999999, 2.1666, 38.92675, 0.0, -15.068713965517242, 578.9754041138508, 3.1105, 1306.7625, 0.0, 65.64999999999999, 166.55, 71.77499999999999, 0.0, 8.549999999999999, 0.0, 65....
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001948488034831510183738
1001948488034831510183738818426345449486997250025213778220022063870631325857954530415255045822254790630040191026259194667575269454994336657371138350453509
2025-04-16T17:10:53
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
5.1681
unknown
-138.906133
null
null
null
null
null
CO_1269096056077931156878540
12690960560779311568785409540317291043551203241598049780065554557506448748313354554011387244750158124668027932750813647709308191153766445497559679377459979
5772546414302950493955658280358108697696519549152966662822130378735672085305905763787650268017754641962612821918848143462231440601024635290224790166116292
[ [ 7.87821342, -0.04122529, 0 ], [ -2.37940626, 8.49543126, 0 ], [ 0, 0, 11.10000765 ] ]
[ [ 3.712553578630373, 2.254717867221898, 2.988669733757451 ], [ 2.9759567113696264, 1.951772472778102, 8.538673558757452 ], [ 1.7862535813696263, 6.199488102778101, 8.11133791624255 ], [ 2.522850448630373, 6.502433497221898, 2.561334091242549 ], [ 7...
[ true, true, true ]
O28P8Rb4Y4
O7P2RbY
A7B2CD
[ "O", "P", "Rb", "Y" ]
[ 0.6363636363636364, 0.18181818181818182, 0.09090909090909091, 0.09090909090909091 ]
[ 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 15, 15, 15, 15, 15, 15, 15, 15, 37, 37, 37, 37, 39, 39, 39, 39 ]
44
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_20201", "megnet_7091" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4654/MD_7132206526580246783974654.json
null
{"desc": [2339.6675, 1302.63085, 3.944, -27.831703, 0.0, 46.711911, 3.75, 1834.51395981, 33.7181826125888, -613.64, 39.013925, 1.7932249999999996, 16.1985, 0.0, -11.565645, 879.3507057316543, 2.64125, 1330.055, 0.0, 7.7, 37.625, 12.05, 0.0, -0.35, 0.0, 17.475, 12.05, 70.65, 620.16625, 0.8045999999999999, -7.90104199999...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001933495156202235074461
10019334951562022350744611031555916493392116059447065353805242172494021406323526140513284948027495312639123591956502025267610518802577974902272543037733575
2025-04-16T16:08:11
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.8914
unknown
-227.618775
null
null
null
null
null
CO_3044524103783287341630760
3044524103783287341630760132505732147393643802182455334492570004988656462999299342996517243978808415074318052208199200501928845129994535696383749064948084
11621215204371899150614900248283329029626401339289488376394734944348724198006381041753610748548171456366177090696550222395078141227576153254044329252631769
[ [ -9.80374319, 0.01295819, 0.05506044 ], [ -4.91319243, 8.44476561, 0.01221017 ], [ 0.07658859, 0.02573124, -14.13696335 ] ]
[ [ -12.68204255219332, 6.53470890397773, -0.721402818669474 ], [ -9.119547895510026, 2.578146786461379, -0.7324971003070632 ], [ -7.534861757031062, 7.753892104544792, -0.8587639941559185 ], [ -7.7823961903647, 1.9787366322264999, -6.196441971097248 ], ...
[ true, true, true ]
Li8O58P16V6
Li4O29P8V3
A29B8C4D3
[ "Li", "O", "P", "V" ]
[ 0.09090909090909091, 0.6590909090909091, 0.18181818181818182, 0.06818181818181818 ]
[ 3, 3, 3, 3, 3, 3, 3, 3, 23, 23, 23, 23, 23, 23, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, ...
88
4
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_66199", "megnet_51854" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8897/MD_7222653347275082997508897.json
null
{"desc": [1978.4675, 1483.90815, 4.7124999999999995, -12.2839155, 0.0, 17.15325325, 2.75, 329.78202831, 33.62337138442678, -745.1975000000001, 14.034237500000001, 1.959015, 18.1835, 0.0, -22.065645, 870.4872340965042, 2.868, 1497.7300000000002, 0.0, 40.099999999999994, 87.97500000000001, 44.15, 0.0, -0.35, 0.0, 49.875,...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001962133851572724253969
10019621338515727242539697864432277425080610509868540337309282087299335632188293713657592439035786471630356526199455105578503802670658453968371257571924032
2025-04-17T17:35:57
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-12.493733
null
null
null
null
null
CO_1271692111168537484151210
12716921111685374841512105883643370739424952642934293564276272041855150185686804061559995917453454093967761264586069517154898292553547667780093645983595084
11796109099079903905147553670922848937211800381359881142092279424267749299934787331534521063796815505695937308905598248603573210447120463297579222361601301
[ [ 3.88697814, 0, 0 ], [ 0, 3.88697814, 0 ], [ 0, 0, 3.88697814 ] ]
[ [ 1.94348907, 1.94348907, 1.94348907 ], [ 0, 0, 0 ], [ 1.94348907, 1.94348907, 0 ], [ 1.94348907, 0, 1.94348907 ], [ 0, 1.94348907, 1.94348907 ] ]
[ true, true, true ]
CdO3Ti
CdO3Ti
A3BC
[ "Cd", "O", "Ti" ]
[ 0.2, 0.6, 0.2 ]
[ 22, 48, 8, 8, 8 ]
5
3
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_1196", "megnet_862", "matbench_mp_e_form_103760" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/6624/MD_1151254516598998580876624.json
null
{"materials-project-version": "2019.7.30", "volume": 58.7267942755013, "hash": "11512545165989985808766246828458290182449737792697469571288987805231383765518686277205676416503861044400965770976385101514577042657248228795890578605144822", "id": "MD_1151254516598998580876624"}
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1001943135197461554516753
10019431351974615545167539351510079423962671612451681516180048034601087377551899311629260371419356986932132319463171476365541022408182713395738889423791322
2025-04-16T16:43:28
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0
unknown
-97.227127
null
null
null
null
null
CO_1098691165828353126533117
1098691165828353126533117833973661672398891506159863212175294353220938917408262696481685771203830563397087260824787794440216899572074667470320877840076351
2131227755547831820903502246136593577242865142375610969083903507943144398164507793819065076897173212128164365602763187545843425647500454983391885528202406
[ [ 5.14186297, 8.49637944, 0.20071916 ], [ -4.75937626, 8.58594318, 0.07892846 ], [ -5.14186297, 2.72372521, 8.05047041 ] ]
[ [ -7.795687981796343, 10.115957417063118, 6.814056031955435 ], [ -5.0462412924999995, 5.143355495172054, 6.759205849848939 ], [ -4.854997937499999, 10.879490642672055, 4.836232267348939 ], [ -2.845068366796343, 7.266149384563119, 4.812153989455434 ], [...
[ true, true, true ]
C8Na8Ni4O32S2
C4Na4Ni2O16S
A16B4C4D2E
[ "C", "Na", "Ni", "O", "S" ]
[ 0.14814814814814814, 0.14814814814814814, 0.07407407407407407, 0.5925925925925926, 0.037037037037037035 ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 28, 28, 28, 28, 6, 6, 6, 6, 6, 6, 6, 6, 16, 16, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
54
5
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_70703", "megnet_56317" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/4110/MD_1020172666669519645874110.json
null
{"desc": [2032.7780000000007, 1890.292842, 7.324599999999999, -14.641653856, 0.0, 18.748206655999997, 2.8, 354.54837129568, 26.523604653343682, -1261.606, 11.42564, 3.3130180000000005, 65.8882, 0.0, -67.446316, 800.9840981324994, 3.6014000000000004, 1903.7239999999997, 0.0, 36.06, 273.3, 78.06, 0.0, -0.8800000000000001...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
PO_1002078793118865329707671
10020787931188653297076718065817066289356424884661993866717019963767648488075084920082781705322839667385426742189516971287406388592969476095312355537547572
2025-04-16T21:51:00
DS_9yr94hhj1k33_0
1
VASP
DFT-PBE
null
[]
[]
null
0.9834
unknown
-24.822294
null
null
null
null
null
CO_1220092603004428029611485
12200926030044280296114856832308770447062955762922390910597150148368426768841023442063925035546814852503460032452402972778314779783757330849425340334587660
755840075463585899906035743609321660542277328677027446398238763459931803421550962596664214950827307369798992931113589790024348952033744928789322414642172
[ [ 6.73870969, 0.04096475, 7.68046681 ], [ 2.72906482, 6.12971244, 7.85100915 ], [ -0.4093107, 0.03905629, 10.51664514 ] ]
[ [ 4.412593361691399, 3.0020878800203508, 12.561498397019308 ], [ 3.0180442964886725, 6.032285946431157, 15.725649639360757 ], [ 4.345387019864059, 1.0097520579342933, 16.547886633149584 ], [ 2.5198034397953877, 4.005622124223251, 16.803129641104455 ], ...
[ true, true, true ]
H18Cl4KN6O8Os
Cl4H18KN6O8Os
A18B8C6D4EF
[ "Cl", "H", "K", "N", "O", "Os" ]
[ 0.10526315789473684, 0.47368421052631576, 0.02631578947368421, 0.15789473684210525, 0.21052631578947367, 0.02631578947368421 ]
[ 19, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 76, 7, 7, 7, 7, 7, 7, 17, 17, 17, 17, 8, 8, 8, 8, 8, 8, 8, 8 ]
38
6
0
[ 0, 0, 0 ]
[ "CFID_mp_desc_data_84k_50754", "megnet_36637" ]
null
data/MD/5202/MD_1086845055867124744315202.json
data/MD/8278/MD_9068561674220723223698278.json
null
{"desc": [1581.580666666667, 1124.0992666666664, 6.1825, -30.287556666666664, 0.16666666666666666, 38.04970395, 3.0, 748.8918581333334, 115.88242276682477, -651.9983333333333, 18.283149708333333, 3.4040466666666664, 44.94433333333333, 0.0, -25.706968333333336, 3983.685122892217, 3.6838333333333337, 1143.0033333333333, ...
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}