mp_ID stringlengths 8 14 | x float64 -9.59 15.2 | y float64 -10.97 15.1 | z float64 -7.56 7.54 | type stringclasses 1
value | generated_from stringlengths 4 10 | formula stringlengths 2 24 | n_atoms int64 2 20 | spacegroup int64 1 229 | volume float64 28.2 1.03k | structure dict |
|---|---|---|---|---|---|---|---|---|---|---|
gen-mp-28952 | 6.65086 | 5.741611 | -3.802176 | generated | mp-28952 | O5S1 | 6 | 1 | 90.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8674743176,
-0.0398056917,
-0.4332820475
],
[
-0.039870698,
5.2021288872,
-0.6733631492
],
[
-0.4332689941,
-... |
gen-mp-867293 | -7.525836 | -0.936564 | 4.6855 | generated | mp-867293 | U1Co5Si2 | 8 | 44 | 105.02 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5572097301,
0.6478347778,
0.649553895
],
[
0.6478296518,
5.6626858711,
1.2654466629
],
[
0.6495512724,
1.2654... |
gen-mp-865007 | -8.025677 | -6.617497 | 5.925488 | generated | mp-865007 | Dy3In2Mg1 | 6 | 8 | 161.6 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1437106133,
-1.3558071852,
-0.0137061505
],
[
-1.3557606936,
5.1383724213,
-0.013321884
],
[
-0.0136553934,
-... |
gen-mp-924129 | -6.375878 | -3.549824 | 3.949965 | generated | mp-924129 | Zr9Ni6Sn1 | 16 | 6 | 292.12 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1955928802,
0.0261955727,
-0.020751847
],
[
0.0262861457,
5.6941666603,
-0.3872683048
],
[
-0.0207347181,
-0.... |
gen-mp-1174011 | 5.944601 | 8.566664 | -2.026544 | generated | mp-1174011 | Li2O2 | 4 | 160 | 34.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.7060728073,
0.7046124935,
0.485373646
],
[
0.7045385242,
2.7326009274,
0.48272416
],
[
0.4853517711,
0.482766... |
gen-mp-12920 | -5.528682 | -3.269688 | 1.434016 | generated | mp-12920 | Ce3Ir2P2 | 7 | 44 | 139.44 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8769774437,
-0.0335868821,
-0.5860856175
],
[
-0.0336679667,
3.8874349594,
-0.5976595283
],
[
-0.5861178637,
... |
gen-mp-1216463 | -4.545618 | 0.036356 | -3.862984 | generated | mp-1216463 | V11S9 | 20 | 8 | 328.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2678465843,
-0.3919016123,
-0.0135969874
],
[
-0.3918447793,
9.7926435471,
-0.7389865518
],
[
-0.0135836946,
... |
gen-mp-1112216 | 0.174548 | 1.852857 | -4.065665 | generated | mp-1112216 | Br5K1 | 6 | 10 | 259.81 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1118278503,
-0.0147478469,
-0.0051670717
],
[
-0.0147418017,
7.9127078056,
0.5609377027
],
[
-0.0051774317,
0... |
gen-mp-22355 | 8.359947 | 6.332082 | -2.93876 | generated | mp-22355 | Sr1In1O5Sb1 | 8 | 1 | 120.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6360991001,
-0.0096091144,
-0.0016477357
],
[
-0.0096066138,
3.8750152588,
-0.2914967537
],
[
-0.0016500305,
... |
gen-mp-865095 | 9.287202 | 1.854462 | -3.900829 | generated | mp-865095 | Na1N3H6F2 | 12 | 1 | 110.67 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6840004921,
0.2022476941,
0.2590482831
],
[
0.2022277266,
4.2913484573,
-0.2540391684
],
[
0.2590457797,
-0.2... |
gen-mp-1079871 | -6.1173 | -6.76985 | 4.861217 | generated | mp-1079871 | Cs1Ac1Cl1Sm1 | 4 | 8 | 145.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7098414898,
0.9652067423,
0.4638939202
],
[
0.9652385116,
3.7093787193,
0.4732410312
],
[
0.4638079703,
0.473... |
gen-mp-1112448 | 0.789834 | 1.022329 | -3.770421 | generated | mp-1112448 | Th1Cl4Gd1 | 6 | 1 | 162.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6613228321,
0.7788633108,
0.5310585499
],
[
0.7789342999,
5.1358699799,
0.7596724629
],
[
0.5310075879,
0.759... |
gen-mp-1207993 | -7.929471 | -6.42786 | 6.479411 | generated | mp-1207993 | Tm6Ga2 | 8 | 1 | 201.45 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2192153931,
-0.0131423008,
0.0070297322
],
[
-0.0131389946,
6.4381961823,
-1.7213808298
],
[
0.0070575881,
-1... |
gen-mp-1009133 | -7.6791 | -0.268708 | 3.909428 | generated | mp-1009133 | Mn2Co2 | 4 | 160 | 43.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7163989544,
0.9375742078,
0.9102700949
],
[
0.9375576973,
3.737981081,
0.9490297437
],
[
0.9101605415,
0.9490... |
gen-mp-19252 | 9.077426 | 10.112597 | -0.023091 | generated | mp-19252 | K7O8Ni4Np1 | 20 | 6 | 410.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7574903965,
0.003808138,
0.0114392433
],
[
0.0038708667,
5.4035339355,
0.3129993975
],
[
0.0114405118,
0.3130... |
gen-mp-5538 | -8.86723 | -5.85673 | 4.693678 | generated | mp-5538 | Pd1Y1 | 2 | 221 | 45.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6255085468,
-0.0053765178,
0.0093931872
],
[
-0.005349346,
3.5320026875,
-0.0226259902
],
[
0.0093089826,
-0.... |
gen-mp-31215 | 8.12823 | 1.904455 | -0.697143 | generated | mp-31215 | Ag1F5 | 6 | 1 | 91.23 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9558279514,
0.9304776192,
0.928004384
],
[
0.9304766655,
5.0323271751,
0.3478969932
],
[
0.9279664159,
0.3478... |
gen-mp-754078 | 13.589873 | 8.520835 | -2.256152 | generated | mp-754078 | P1Fe2O3 | 6 | 1 | 95.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.7156002522,
-0.4681020677,
-0.0392625816
],
[
-0.4681487381,
5.2535333633,
0.0554805212
],
[
-0.0392430089,
0... |
gen-mp-1189227 | -3.046725 | -0.718017 | -4.836423 | generated | mp-1189227 | U1S7P1 | 9 | 1 | 221.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9533042908,
-0.8500318527,
-0.4494997561
],
[
-0.8500591516,
5.6912255287,
0.0171105303
],
[
-0.4495470226,
0... |
gen-mp-1068048 | -6.475479 | -6.456611 | 2.339121 | generated | mp-1068048 | Sn4Ba1 | 5 | 1 | 180.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0251140594,
-1.3261325359,
-0.0011720941
],
[
-1.3262137175,
5.0139946938,
0.0027686944
],
[
-0.0011201114,
0... |
gen-mp-1101891 | -4.182504 | -3.768777 | -3.596233 | generated | mp-1101891 | Se5La2Sb1 | 8 | 8 | 214.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2209806442,
0.0400712751,
0.5622697473
],
[
0.0400185585,
4.2257628441,
-0.5537059903
],
[
0.5621945858,
-0.5... |
gen-mp-559415 | 13.514627 | 8.522717 | -0.8373 | generated | mp-559415 | Cu1Si1O2 | 4 | 44 | 48.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8835606575,
-0.0299367271,
0.5008794665
],
[
-0.0299555883,
2.8800580502,
0.4770983756
],
[
0.5009407401,
0.4... |
gen-mp-567558 | 1.344457 | 2.626076 | -5.901547 | generated | mp-567558 | Cs2Ag4Cl6 | 12 | 1 | 356 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3011293411,
-0.7335340977,
0.0252578035
],
[
-0.733484447,
8.0060033798,
-0.0356265083
],
[
0.0252437033,
-0.... |
gen-mp-8007 | -5.428069 | -3.89851 | 2.882377 | generated | mp-8007 | He1U14O2Sb1 | 18 | 6 | 421.33 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.6711769104,
-0.0009978418,
0.0011927441
],
[
-0.001118286,
5.584543705,
0.0123434486
],
[
0.0011211999,
0.012... |
gen-mp-1188114 | -7.422585 | -6.797591 | 7.120181 | generated | mp-1188114 | Tb10Pu2Ni2Tc2Pm2 | 18 | 6 | 540.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.648293972,
0.0106614577,
0.017908819
],
[
0.010626615,
10.4852609634,
-0.0179097652
],
[
0.0179177877,
-0.017... |
gen-mp-558446 | -2.621964 | -0.193877 | -5.454035 | generated | mp-558446 | Ag4S4I2Pt1Hg1 | 12 | 8 | 314.42 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1993350983,
-1.1308771372,
-0.0071045826
],
[
-1.1308407784,
4.171330452,
-0.0057854811
],
[
-0.0071653347,
-... |
gen-mp-865165 | -7.396138 | -2.319926 | 4.649651 | generated | mp-865165 | Pa1Hf2Co3 | 6 | 8 | 105.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9533281326,
1.0518968105,
1.0744411945
],
[
1.051902771,
4.9176416397,
1.0460442305
],
[
1.0744384527,
1.0461... |
gen-mp-756339 | 9.864875 | 8.649842 | 3.212939 | generated | mp-756339 | Tm4Mg1Ho1O9 | 15 | 8 | 205.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4121797085,
0.9048444629,
0.2303886712
],
[
0.9048725963,
3.4527146816,
0.29658705
],
[
0.2303549349,
0.29641... |
gen-mp-1208267 | -5.329824 | -3.01779 | 3.029889 | generated | mp-1208267 | Ti3Sb1 | 4 | 8 | 69.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3515877724,
1.0855226517,
1.0950974226
],
[
1.0854952335,
4.3600997925,
1.0948793888
],
[
1.095102191,
1.0948... |
gen-mp-865847 | -7.615214 | -4.398038 | 4.466611 | generated | mp-865847 | U1Pa5Tc2Cu1Lu2Ir3Pt1 | 15 | 1 | 339.28 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7912745476,
1.7578566074,
1.0469200611
],
[
1.7578929663,
7.6413292885,
1.9632220268
],
[
1.0470331907,
1.963... |
gen-mp-1185769 | -8.359881 | -3.883 | 3.8966 | generated | mp-1185769 | Mg9Ir5Ni6 | 20 | 8 | 315.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0961623192,
-1.09790802,
-0.0283395629
],
[
-1.0979189873,
4.1142497063,
-0.0014855443
],
[
-0.0282423701,
-0... |
gen-mp-28853 | 8.048126 | 10.166572 | -1.259062 | generated | mp-28853 | Au5O6La1 | 12 | 6 | 200.04 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4483067989,
-0.0149421794,
-0.0379162133
],
[
-0.0150710298,
6.0591244698,
-2.0683066845
],
[
-0.0379497372,
... |
gen-mp-1177699 | 8.940093 | 15.051556 | -0.796703 | generated | mp-1177699 | Mn2F1Li1O3 | 7 | 1 | 74.22 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.907074213,
-0.7176727653,
0.0485947132
],
[
-0.7177149057,
3.2158827782,
0.1317198724
],
[
0.0485768951,
0.13... |
gen-mp-1207436 | -5.608593 | -5.479392 | 4.101373 | generated | mp-1207436 | Zr3Pd2He2Si1Pa2 | 10 | 6 | 222.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8429903984,
-0.0260097329,
0.0155371008
],
[
-0.0259614587,
5.9206385612,
0.8266604543
],
[
0.0155504989,
0.8... |
gen-mp-1104255 | 8.414302 | 2.008739 | 0.030797 | generated | mp-1104255 | Sb1F3 | 4 | 1 | 68.39 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1651988029,
-0.240389809,
-1.0192978382
],
[
-0.2403479815,
4.1648440361,
-0.9973415732
],
[
-1.019335866,
-0... |
gen-mp-22546 | -6.928988 | -1.565615 | 1.957707 | generated | mp-22546 | Co3As3Rh3 | 9 | 1 | 116.24 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6708159447,
-0.012162922,
-0.0137112141
],
[
-0.0121396957,
5.8991179466,
-1.5591865778
],
[
-0.013727285,
-1... |
gen-mp-1225602 | -6.168107 | -5.562943 | 5.102898 | generated | mp-1225602 | Er7Si1C6Th4N2 | 20 | 1 | 432.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5011677742,
-0.0366836935,
-0.9585415125
],
[
-0.0366093777,
7.6982512474,
-0.8068447113
],
[
-0.9582707882,
... |
gen-mp-12722 | -8.451199 | -4.744438 | 4.010497 | generated | mp-12722 | Al5Pd4Tb3 | 12 | 156 | 228.05 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3076004982,
-1.1458952427,
0.0083449483
],
[
-1.1458423138,
4.3082036972,
0.0012042979
],
[
0.0083027342,
0.0... |
gen-mp-1186024 | -5.71453 | -7.324236 | 2.909749 | generated | mp-1186024 | Na9Cd6 | 15 | 1 | 454.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.0984897614,
2.1391422749,
1.5403659344
],
[
2.1391768456,
8.1626768112,
2.2170813084
],
[
1.5403664112,
2.217... |
gen-mp-27718 | -0.473344 | 1.379202 | -4.837413 | generated | mp-27718 | Cs4Br8Hg2 | 14 | 1 | 539 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.4505434036,
0.0493657477,
-0.0169109479
],
[
0.0494915619,
8.226940155,
0.0642089471
],
[
-0.0169476438,
0.06... |
gen-mp-1185124 | -6.309001 | -7.947504 | 5.587923 | generated | mp-1185124 | Ac7Th1 | 8 | 1 | 374.22 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.511059761,
0.0024752575,
0.0008272972
],
[
0.002557335,
7.8815722466,
-2.1111638546
],
[
0.000723885,
-2.1111... |
gen-mp-1106056 | -6.204905 | -4.027509 | 1.054181 | generated | mp-1106056 | Th5Sb9Ir1Y1Os4 | 20 | 1 | 507.98 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.35227108,
-1.6449970007,
-1.6172279119
],
[
-1.6450395584,
8.4042043686,
-1.6963857412
],
[
-1.6171472073,
-1... |
gen-mp-1077095 | -7.972848 | -4.101438 | 4.501043 | generated | mp-1077095 | Sc2Ni5Pa1Lu1Cd1 | 10 | 8 | 166.42 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1814548969,
-0.0122147053,
-0.00463092
],
[
-0.0121643711,
3.1987588406,
0.000894153
],
[
-0.0046511749,
0.00... |
gen-mp-570355 | 1.677166 | 2.549056 | -5.195336 | generated | mp-570355 | Cl3Pb1 | 4 | 6 | 157.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3174061775,
-0.0073843994,
0.0091996267
],
[
-0.0073805577,
5.3644170761,
-0.0064256443
],
[
0.0092201475,
-0... |
gen-mp-1224988 | -8.135369 | -6.871026 | 5.240309 | generated | mp-1224988 | In6Gd8Ag5Cd1 | 20 | 8 | 505.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9337530136,
1.3360899687,
0.4579517245
],
[
1.3360807896,
4.9773869514,
0.4590484798
],
[
0.4579619765,
0.459... |
gen-mp-1106125 | -2.996263 | -0.75213 | -5.033854 | generated | mp-1106125 | S2Cs1 | 3 | 3 | 95.4 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.85404706,
0.6540346742,
-0.002034978
],
[
0.653994143,
5.1481928825,
0.0564863272
],
[
-0.0020659501,
0.05648... |
gen-mp-1183086 | -6.891726 | -7.830668 | 5.12364 | generated | mp-1183086 | Ac3Cd2 | 5 | 1 | 183.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3621225357,
1.3124525547,
1.3207257986
],
[
1.3124806881,
6.1784348488,
0.7612723112
],
[
1.320751667,
0.7612... |
gen-mp-1660 | -7.172621 | -7.545493 | 4.993048 | generated | mp-1660 | Ac2Zn2 | 4 | 221 | 107.44 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0305018425,
1.2655665874,
1.28452003
],
[
1.2655259371,
5.023165226,
1.259978056
],
[
1.2845813036,
1.2599204... |
gen-mp-1019280 | -6.295484 | -7.148964 | 3.156513 | generated | mp-1019280 | Zn8Pb5Sr4Ac1 | 18 | 8 | 548.43 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5775904655,
-1.2148977518,
0.0161086135
],
[
-1.2149178982,
4.5768575668,
-0.0135138277
],
[
0.0160938986,
-0... |
gen-mp-1220035 | -6.061388 | -2.007118 | -1.396896 | generated | mp-1220035 | Ni4Se3Te2As1 | 10 | 8 | 178.38 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6021883488,
-0.9456347823,
0.0131723527
],
[
-0.9455786347,
3.6244680882,
0.0209028237
],
[
0.013265891,
0.02... |
gen-mp-1225783 | -3.460476 | -0.80952 | -5.36197 | generated | mp-1225783 | Cu2S3P1 | 6 | 8 | 103.88 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8279151917,
-0.1001257151,
-1.1416028738
],
[
-0.1001329049,
3.8347041607,
-0.7742802501
],
[
-1.141569376,
-... |
gen-mp-8667 | -2.835396 | 1.130811 | 2.543953 | generated | mp-8667 | B3Th1Ce2C2 | 8 | 8 | 133.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4953248501,
-0.0271872226,
-0.4728045166
],
[
-0.0271173101,
3.8787441254,
-0.5584373474
],
[
-0.4728116691,
... |
gen-mp-1106337 | 10.554865 | 9.944335 | 2.400874 | generated | mp-1106337 | Pu2O12Mn2Pb3U1 | 20 | 1 | 375.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9011850357,
-0.1399826854,
0.0617271215
],
[
-0.1400047094,
9.5166730881,
-0.2328874022
],
[
0.0617681965,
-0... |
gen-mp-18956 | 8.041288 | 10.239818 | -3.676327 | generated | mp-18956 | Sm2Cr3O13Pr1 | 19 | 1 | 279.18 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.6661639214,
-1.6880083084,
-0.0579285473
],
[
-1.6880338192,
6.6897125244,
-0.1407754719
],
[
-0.0580358654,
... |
gen-mp-4952 | -7.595804 | -5.72566 | 5.834244 | generated | mp-4952 | La2Ni2 | 4 | 8 | 90.37 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7459826469,
1.1866167784,
1.2103446722
],
[
1.1867380142,
4.7665247917,
1.1930086613
],
[
1.2103345394,
1.192... |
gen-mp-1220977 | 10.517941 | 11.165198 | -3.094558 | generated | mp-1220977 | W1O3 | 4 | 6 | 57.88 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8630492687,
-0.0168474615,
-0.0031303428
],
[
-0.0169262718,
3.8771080971,
0.0058840644
],
[
-0.0030524954,
0... |
gen-mp-560449 | 9.039837 | 0.437008 | 0.198179 | generated | mp-560449 | K2F5Ni1 | 8 | 25 | 132.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9580147266,
-0.0135652926,
-0.0160984062
],
[
-0.0136327092,
5.7779026031,
0.0018782886
],
[
-0.0160574783,
0... |
gen-mp-1214401 | 12.790702 | 6.228834 | -3.769797 | generated | mp-1214401 | As1O3H2 | 6 | 1 | 69.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0096609592,
-0.2296768725,
-0.4543952346
],
[
-0.2296938896,
4.6531047821,
-1.3207739592
],
[
-0.4544258714,
... |
gen-mp-1014229 | -5.502098 | -2.995807 | 3.814826 | generated | mp-1014229 | Ti10Zn2 | 12 | 6 | 208.13 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.9068217278,
0.0023571255,
0.0017028591
],
[
0.0024070891,
5.0687708855,
-0.0080539417
],
[
0.0016924415,
-0.0... |
gen-mp-9928 | 8.619439 | 1.440225 | -0.038902 | generated | mp-9928 | Ca1F5Rh1 | 7 | 1 | 103.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9039802551,
-0.4435119927,
-2.1166329384
],
[
-0.4435044825,
5.4145512581,
-0.4028869271
],
[
-2.1166057587,
... |
gen-mp-6205 | 7.163769 | 10.074971 | 0.721388 | generated | mp-6205 | Cu3Ho1Ba1O6 | 11 | 44 | 139.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7299835682,
-0.0194307212,
-0.5292488337
],
[
-0.0194347743,
3.8252215385,
-0.5385555029
],
[
-0.5292441249,
... |
gen-mp-1219140 | -2.803692 | -2.788509 | -4.760257 | generated | mp-1219140 | S9Nd1Th3Gd1U1 | 15 | 1 | 363.41 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.4972805977,
-1.7834743261,
-1.9534647465
],
[
-1.7835350037,
7.2765960693,
-1.1647516489
],
[
-1.9535219669,
... |
gen-mp-1184986 | -6.655656 | -6.73828 | 5.005278 | generated | mp-1184986 | Ga2Li6Nd3Pm1 | 12 | 8 | 268.88 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5859260559,
-1.511133194,
-0.0011154762
],
[
-1.5110797882,
5.5481982231,
0.0076718898
],
[
-0.0011131992,
0.... |
gen-mp-510570 | 8.998017 | 14.762774 | -0.694167 | generated | mp-510570 | O2Cu1Mn1 | 4 | 8 | 44.06 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8509042263,
0.7507341504,
0.4654557407
],
[
0.7507430911,
2.8614776134,
0.4687509239
],
[
0.4654736817,
0.468... |
gen-mp-1111106 | 8.511997 | 0.907605 | 1.118574 | generated | mp-1111106 | Na3F4K1 | 8 | 6 | 121.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9515938759,
-0.0093300594,
-0.0157462675
],
[
-0.009345497,
4.9504899979,
0.000979838
],
[
-0.0157319736,
0.0... |
gen-mp-4299 | -8.821981 | -5.672731 | 4.204727 | generated | mp-4299 | Ho4Pd4In2 | 10 | 1 | 218.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6692643166,
0.0153044835,
0.0018976734
],
[
0.0152676497,
7.7079157829,
0.0033876142
],
[
0.0019634834,
0.003... |
gen-mp-1207953 | -7.126203 | -5.928001 | 4.975097 | generated | mp-1207953 | Tm10Ge2Sb4 | 16 | 1 | 406.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.1988296509,
0.0241860189,
0.0091245314
],
[
0.0241191946,
8.4199066162,
-2.2535719872
],
[
0.0091023715,
-2.2... |
gen-mp-4763 | -2.940473 | -3.725559 | 0.864618 | generated | mp-4763 | Si6P4 | 10 | 1 | 192.05 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6733231544,
-0.0028774431,
0.0135533661
],
[
-0.0028741667,
5.2745051384,
-0.0071808025
],
[
0.0135719217,
-0... |
gen-mp-27776 | -4.53922 | -3.768113 | 0.144052 | generated | mp-27776 | Cd2As3Cl1 | 6 | 6 | 144.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7263288498,
-0.0045904694,
0.0016302806
],
[
-0.0046103979,
4.1846704483,
-0.1618760228
],
[
0.0016650625,
-0... |
gen-mp-34433 | -6.084669 | -0.897583 | 4.089144 | generated | mp-34433 | Tc4 | 4 | 12 | 57.31 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.756385088,
-0.0103852358,
-0.0312135816
],
[
-0.0103936633,
4.3779759407,
-0.0067274347
],
[
-0.0311710909,
-... |
gen-mp-850978 | 9.873323 | 12.912563 | -2.77729 | generated | mp-850978 | Fe3O9V2 | 14 | 1 | 162.22 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8196041584,
0.7111712098,
0.7219026089
],
[
0.7112190127,
6.7322564125,
0.3145227134
],
[
0.72175771,
0.31458... |
gen-mp-1220322 | -6.020464 | -1.625094 | 4.011436 | generated | mp-1220322 | Nb5Tc4Re2 | 11 | 99 | 183.13 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.195581913,
0.0051700706,
-0.0012492049
],
[
0.0051796315,
3.2014739513,
0.0036165351
],
[
-0.0012551671,
0.00... |
gen-mp-1219013 | -8.323379 | -1.299921 | 4.156811 | generated | mp-1219013 | Mn3Ni4Pm1Sm2 | 10 | 99 | 165.31 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1803019047,
-0.0068647414,
0.0147513133
],
[
-0.006877061,
3.1805670261,
-0.0111104045
],
[
0.0147479419,
-0.... |
gen-mp-20798 | 12.030497 | 8.656151 | -0.416917 | generated | mp-20798 | O2Ge2 | 4 | 99 | 57.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5915224552,
-0.0151359178,
0.0304982848
],
[
-0.0151624568,
3.6181886196,
0.0089782951
],
[
0.0304817241,
0.0... |
gen-mp-1216763 | 12.379649 | 9.070036 | 1.979561 | generated | mp-1216763 | Ti5O5V5U2H1 | 18 | 8 | 249.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1379437447,
-1.1337912083,
0.0004582925
],
[
-1.1337895393,
4.151386261,
-0.0099087618
],
[
0.0005140592,
-0.... |
gen-mp-1206373 | -4.313486 | -3.453152 | -3.282738 | generated | mp-1206373 | Pa1Se2Li1 | 4 | 8 | 96.1 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8769643307,
-1.071067214,
0.0164890699
],
[
-1.0711023808,
3.8935995102,
-0.0006742007
],
[
0.0165055059,
-0.... |
gen-mp-602328 | -8.051363 | -5.167298 | 4.314693 | generated | mp-602328 | Th2In6Pm1Ce2Pt4Ru1 | 16 | 1 | 419.83 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6991581917,
1.2544775009,
0.4358763099
],
[
1.2545133829,
4.6976613998,
0.4453698993
],
[
0.4358541369,
0.445... |
gen-mp-8578 | -7.61327 | -5.701263 | 5.241562 | generated | mp-8578 | Sc10C2In4 | 16 | 1 | 392.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.3832936287,
-0.2413199097,
-0.210299015
],
[
-0.2413783669,
7.7768397331,
-1.5076829195
],
[
-0.210252583,
-1... |
gen-mp-756193 | 5.763892 | 11.807502 | -1.620173 | generated | mp-756193 | Ni4O8 | 12 | 6 | 124.31 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.7450141907,
0.0046076179,
0.0026148623
],
[
0.0046355035,
6.7627034187,
-0.0535040088
],
[
0.0025220071,
-0.0... |
gen-mp-2130 | -9.169509 | -2.037888 | 3.075798 | generated | mp-2130 | Lu3Ni7 | 10 | 166 | 170.78 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6840820312,
1.2349793911,
0.8297510147
],
[
1.23501122,
4.7079253197,
0.826104939
],
[
0.8297008276,
0.826040... |
gen-mp-1228866 | -5.366859 | -5.73792 | 0.452163 | generated | mp-1228866 | In4Al2Sb6 | 12 | 6 | 407.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6071605682,
0.0269145146,
0.0152933719
],
[
0.0268096738,
6.4554567337,
0.0065942225
],
[
0.0152914794,
0.006... |
gen-mp-1205494 | -4.795212 | -4.498708 | 6.08016 | generated | mp-1205494 | Nd2Mg2Si2 | 6 | 1 | 144.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2789239883,
-0.0882835463,
-0.7595315576
],
[
-0.0883364156,
4.2351679802,
-0.7583552003
],
[
-0.7596174479,
... |
gen-mp-1101043 | 12.964375 | 8.514659 | -0.101534 | generated | mp-1101043 | O2Al2 | 4 | 166 | 53.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8044583797,
0.7195811272,
0.3612441123
],
[
0.7196005583,
2.8179011345,
0.3781203926
],
[
0.3612234592,
0.378... |
gen-mp-972502 | -7.038969 | -7.022436 | 7.404688 | generated | mp-972502 | Sm3Pm1 | 4 | 8 | 137.03 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0135779381,
-0.1576439738,
-1.1913201809
],
[
-0.1575688273,
5.0496602058,
-1.219637394
],
[
-1.1913299561,
-... |
gen-mp-1102233 | -6.314421 | -1.251829 | 4.468293 | generated | mp-1102233 | Tc14Pu2 | 16 | 1 | 248.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5665807724,
-0.7471311092,
-0.0194583926
],
[
-0.7471930981,
5.3087458611,
0.003497669
],
[
-0.019535346,
0.0... |
gen-mp-1185264 | -6.457417 | -7.590282 | 6.631133 | generated | mp-1185264 | Ac2La1Pm1 | 4 | 8 | 171.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3763227463,
-0.155789122,
-1.3165749311
],
[
-0.1557684392,
5.3859367371,
-1.3053972721
],
[
-1.316527009,
-1... |
gen-mp-865622 | -6.699065 | -6.806801 | 4.055262 | generated | mp-865622 | Li6Pm1In4Zr1 | 12 | 8 | 255.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5686759949,
-1.2114627361,
0.011107306
],
[
-1.2113865614,
4.5597391129,
0.0135708703
],
[
0.0111317085,
0.01... |
gen-mp-17895 | 9.089518 | 1.522961 | 1.065893 | generated | mp-17895 | K1Ni1F2 | 4 | 6 | 59.02 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9649150372,
0.0039537842,
-0.0042331624
],
[
0.0038609407,
3.71220994,
0.0117570739
],
[
-0.0043605077,
0.011... |
gen-mp-1223497 | -8.208527 | -4.840918 | 3.03899 | generated | mp-1223497 | Pd4La2Ge3 | 9 | 6 | 177.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4172363281,
-0.0128839677,
-0.0201342031
],
[
-0.0129189873,
6.2376708984,
-2.0632886887
],
[
-0.0201523639,
... |
gen-mp-33363 | -2.708853 | -2.606721 | -5.805478 | generated | mp-33363 | S10Li5Y5 | 20 | 1 | 425.24 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8474361897,
-0.9891569614,
0.0550431572
],
[
-0.9891140461,
3.8099591732,
-0.0181142911
],
[
0.0549559258,
-0... |
gen-mp-11082 | -8.918527 | -6.501693 | 2.826874 | generated | mp-11082 | Th1Cd2Au2 | 5 | 107 | 122.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2572693825,
-0.0894488767,
-0.8301234245
],
[
-0.0894775242,
4.2250881195,
-0.8308104873
],
[
-0.83020401,
-0... |
gen-mp-23061 | -4.673578 | -0.08221 | 2.005054 | generated | mp-23061 | Tl1O1Tc4Cl2 | 8 | 1 | 155.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4762773514,
0.0112383571,
-0.0029796136
],
[
0.0112919752,
4.9870157242,
-0.4735172689
],
[
-0.0029915094,
-0... |
gen-mp-1189352 | 10.348832 | 4.058209 | -4.188105 | generated | mp-1189352 | Cu2H8O7Zn1 | 18 | 1 | 163.5 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.085041523,
0.0661084875,
-0.0992950946
],
[
0.0660949126,
5.5740103722,
0.8661729097
],
[
-0.0992684141,
0.86... |
gen-mp-38951 | 12.462928 | 9.250169 | 1.151719 | generated | mp-38951 | Ga3O1 | 4 | 1 | 65.75 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8880150318,
0.7538369298,
0.1914600432
],
[
0.7538207173,
2.883630991,
0.3330802023
],
[
0.1914420724,
0.3330... |
gen-mp-1106127 | -4.637538 | -3.504516 | -3.716204 | generated | mp-1106127 | Ba2Dy2Se7In1 | 12 | 1 | 378.18 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.8159680367,
-0.2476032078,
-1.699667573
],
[
-0.2475731671,
7.2037158012,
-0.6243305206
],
[
-1.6997094154,
-... |
gen-mp-1095487 | -6.16876 | -1.243333 | 4.235482 | generated | mp-1095487 | Tc10Th2 | 12 | 8 | 210.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0038881302,
-1.3324320316,
-0.0022500858
],
[
-1.3324556351,
5.0410218239,
-0.018911086
],
[
-0.0022221415,
-... |
gen-mp-752454 | 12.281702 | 9.219601 | 0.166164 | generated | mp-752454 | V5F3 | 8 | 156 | 107.27 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.7867288589,
-0.7445890903,
-0.0045364993
],
[
-0.7445726395,
2.7962217331,
0.0158827677
],
[
-0.0045123394,
0... |
gen-mp-19177 | 9.200355 | 12.718645 | -2.311563 | generated | mp-19177 | O6Cr3 | 9 | 1 | 99.82 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6858911514,
0.4967380166,
0.2323762178
],
[
0.496715188,
4.6739015579,
1.1370631456
],
[
0.2323051542,
1.1370... |
gen-mp-1112164 | 1.005212 | 1.428869 | -4.342309 | generated | mp-1112164 | Cu1K1Ac1Cl10Th3Er1Au1 | 18 | 1 | 467.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6140379906,
0.0038388143,
0.0184818134
],
[
0.0038730996,
9.6163721085,
-1.5130252838
],
[
0.0185133107,
-1.5... |
gen-mp-1222282 | -4.263208 | -4.191148 | -3.86468 | generated | mp-1222282 | Li1Nd1Se2 | 4 | 160 | 99.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9942708015,
1.0164891481,
0.7485505342
],
[
1.016597271,
3.9874913692,
0.7234384418
],
[
0.7485369444,
0.7233... |
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