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-1188611 | 8.572087 | 13.221972 | -1.208829 | generated | mp-1188611 | Fe4O8Cu2 | 14 | 1 | 156.31 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8209891319,
-0.2666779757,
-1.6290664673
],
[
-0.2666751444,
5.7914528847,
-1.6579377651
],
[
-1.6290990114,
... |
gen-mp-1190112 | -7.920163 | -3.24481 | 4.586777 | generated | mp-1190112 | Sm2Ge4Rh2 | 8 | 38 | 157.89 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2104296684,
-0.0037592938,
-0.7003931999
],
[
-0.0037860586,
4.3097319603,
-0.0128947133
],
[
-0.7004092336,
... |
gen-mp-1215195 | -2.695495 | -0.032732 | 2.746602 | generated | mp-1215195 | C7U7Th1 | 15 | 99 | 253.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7204635143,
0.0085393768,
-0.0032274071
],
[
0.0085656233,
3.7589933872,
0.0031352711
],
[
-0.0031027007,
0.0... |
gen-mp-1221089 | 11.361708 | 8.378046 | 0.719887 | generated | mp-1221089 | Ca1Si1O3 | 5 | 38 | 48.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6491854191,
-0.0101448018,
0.0044950824
],
[
-0.0102053564,
3.6342196465,
0.0125418156
],
[
0.0045501967,
0.0... |
gen-mp-643264 | 2.8545 | -0.38828 | -1.779557 | generated | mp-643264 | Th1H2 | 3 | 5 | 43.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7115995884,
0.9407679439,
0.9304463863
],
[
0.9406991601,
3.730453968,
0.9464446306
],
[
0.9304568172,
0.9464... |
gen-mp-1228427 | 10.992114 | 8.715383 | 2.130512 | generated | mp-1228427 | Cs1O2Th1 | 4 | 8 | 87.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5841658115,
0.9220103621,
0.5891347528
],
[
0.922021687,
3.5780229568,
0.6000006199
],
[
0.5892571211,
0.5999... |
gen-mp-12054 | -4.745445 | 0.746834 | 2.996656 | generated | mp-12054 | Cr7B11 | 18 | 6 | 140.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8890533447,
-0.0204015896,
-0.0133870812
],
[
-0.0204402246,
5.127052784,
0.3310877383
],
[
-0.0134065105,
0.... |
gen-mp-30364 | -7.14415 | -6.230638 | 1.803426 | generated | mp-30364 | Ba1Au3 | 4 | 8 | 113.24 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5263562202,
-1.2832983732,
-1.1175445318
],
[
-1.2832916975,
4.6941742897,
-0.1282308549
],
[
-1.1175194979,
... |
gen-mp-1225173 | -4.249133 | -4.965015 | 5.824234 | generated | mp-1225173 | Si6Eu4Cu1Al3 | 14 | 8 | 286.63 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.345179081,
1.1714452505,
0.4905002117
],
[
1.1714144945,
4.4130773544,
0.4797416329
],
[
0.4905287027,
0.4797... |
gen-mp-7128 | 7.762725 | 7.943891 | -4.144601 | generated | mp-7128 | As1O3 | 4 | 8 | 50.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.7242166996,
-0.070081532,
-0.4920756817
],
[
-0.0700895339,
3.7314584255,
-0.8082315326
],
[
-0.4920138121,
-... |
gen-mp-1105749 | -6.420475 | -5.334846 | 5.505065 | generated | mp-1105749 | Si1Th2Rh1 | 4 | 160 | 100.08 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9155459404,
1.2368438244,
1.2184736729
],
[
1.236959815,
4.9077267647,
1.2195066214
],
[
1.2185285091,
1.2195... |
gen-mp-1080399 | -2.829847 | -0.383612 | 2.856619 | generated | mp-1080399 | Th8C5Rh1B1 | 15 | 1 | 332.4 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8733596802,
0.0145453578,
-0.0107917357
],
[
0.0145756509,
9.5361309052,
-2.3322119713
],
[
-0.0107159596,
-2... |
gen-mp-19942 | -4.179195 | -3.935648 | -3.957445 | generated | mp-19942 | Gd2Se6Ba1Au2Nd1 | 12 | 6 | 318.81 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2624754906,
-0.0240269657,
0.0149657475
],
[
-0.0239128713,
8.3103570938,
-0.4883211255
],
[
0.0149715105,
-0... |
gen-mp-2525 | -8.129766 | -6.957393 | 5.265602 | generated | mp-2525 | Pr7Ag8Gd1 | 16 | 1 | 429.51 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3177728653,
0.0116225285,
-0.000448362
],
[
0.0116248885,
7.5467920303,
-0.0465647727
],
[
-0.0003305051,
-0.... |
gen-mp-1094485 | -9.223817 | -6.012894 | 3.436693 | generated | mp-1094485 | Mg1Zn5 | 6 | 157 | 93.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6066460609,
-0.0082482565,
0.0075840112
],
[
-0.0082443031,
4.6866297722,
-1.2521187067
],
[
0.0075039249,
-1... |
gen-mp-766454 | 12.830102 | 11.383858 | 1.956178 | generated | mp-766454 | Ti6O10 | 16 | 8 | 197.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0147111416,
0.4222736657,
0.4030644298
],
[
0.4223178327,
7.9738678932,
0.4192596078
],
[
0.4030564427,
0.419... |
gen-mp-15668 | -4.717961 | -3.003965 | -3.872088 | generated | mp-15668 | Na6Se4 | 10 | 1 | 284.45 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3813772202,
-0.6000190973,
-0.8513224721
],
[
-0.5999746323,
6.9447336197,
-1.3861199617
],
[
-0.8514522314,
... |
gen-mp-1225511 | -6.149598 | -4.452236 | 0.858434 | generated | mp-1225511 | Sb2Eu1Ni1 | 4 | 8 | 97.83 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.998857975,
1.0264137983,
0.7398380637
],
[
1.0264012814,
4.0025906563,
0.7505407333
],
[
0.7398294806,
0.7505... |
gen-mp-1256 | -7.758961 | -4.662374 | 5.589899 | generated | mp-1256 | Ga9Ho2U1 | 12 | 1 | 251.42 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3964362144,
-0.0047949646,
0.0046421955
],
[
-0.0047873752,
4.3219566345,
0.0025241652
],
[
0.0046938001,
0.0... |
gen-mp-1519157 | 8.057062 | 8.324453 | 0.389862 | generated | mp-1519157 | O8Pm3Np1 | 12 | 1 | 171.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.4042434692,
-0.1746287346,
-1.321485877
],
[
-0.1746857613,
5.402700901,
-1.3333743811
],
[
-1.3215222359,
-1... |
gen-mp-27661 | -5.065852 | -3.530932 | 2.209021 | generated | mp-27661 | Cl4U4 | 8 | 1 | 236.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8158793449,
-0.0046754745,
-0.0119496454
],
[
-0.0046621384,
7.2759313583,
-0.7311604023
],
[
-0.0120033193,
... |
gen-mp-1209722 | -7.828724 | -6.725259 | 6.471618 | generated | mp-1209722 | Pm1Co1Sm2Pb1 | 5 | 6 | 142.86 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1369185448,
0.010658998,
-0.0058625359
],
[
0.0106867477,
5.1659207344,
0.0100810174
],
[
-0.0058748852,
0.01... |
gen-mp-21036 | 8.971811 | 14.81963 | -0.201323 | generated | mp-21036 | Na3O7Mn4 | 14 | 1 | 156.62 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0044469833,
0.5395903587,
-0.0468341112
],
[
0.5396742821,
5.5122075081,
0.4278279543
],
[
-0.0470550247,
0.4... |
gen-mp-8122 | -5.243114 | -4.067011 | 5.352566 | generated | mp-8122 | Cu2Pu1Er1Si2 | 6 | 8 | 106.82 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9668445587,
-1.0702437162,
0.0198227931
],
[
-1.0702549219,
3.9762501717,
-0.0211028978
],
[
0.0197929498,
-0... |
gen-mp-1227881 | -6.329481 | -6.733595 | 3.222305 | generated | mp-1227881 | Ba1In3 | 4 | 8 | 126.08 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0146994591,
0.002949513,
-0.0201423857
],
[
0.0030066282,
5.0199847221,
0.0094597749
],
[
-0.020244725,
0.009... |
gen-mp-557403 | 10.068112 | 0.624182 | 0.198191 | generated | mp-557403 | F3Fe1 | 4 | 8 | 59.06 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8906745911,
-0.0026328559,
-0.0084018502
],
[
-0.0026612368,
3.9071450233,
-0.023600338
],
[
-0.008408187,
-0... |
gen-mp-780702 | 9.028108 | 13.138636 | -0.410389 | generated | mp-780702 | Mn1Li3O2F2 | 8 | 99 | 90.03 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1742749214,
-0.0069940789,
-0.0137692355
],
[
-0.0070263394,
3.1659679413,
0.0127601493
],
[
-0.0137665058,
0... |
gen-mp-1077470 | -5.654438 | -5.573661 | 3.623012 | generated | mp-1077470 | Ge3Ca1 | 4 | 8 | 82.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6005430222,
1.1377483606,
1.1589362621
],
[
1.1377694607,
4.6052780151,
1.1609156132
],
[
1.1589142084,
1.160... |
gen-mp-1220540 | 11.92531 | 9.467871 | 1.563016 | generated | mp-1220540 | Nd1Fe1O2 | 4 | 8 | 51.86 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2664945126,
-0.0126524679,
0.0017409194
],
[
-0.0126488693,
3.9754581451,
-0.0015182616
],
[
0.0017489633,
-0... |
gen-mp-4571 | 11.950748 | 8.854806 | 1.941367 | generated | mp-4571 | O5Zr1Th3Ca1Pm1N1 | 12 | 99 | 201.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5031723976,
-0.0061639519,
-0.0095120082
],
[
-0.0061233966,
3.4992880821,
-0.0202101581
],
[
-0.0095692426,
... |
gen-mp-11176 | -5.835034 | -2.917101 | 5.686844 | generated | mp-11176 | Si4Ca3Ir5 | 12 | 1 | 224.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7779960632,
-0.2941832542,
0.0543938689
],
[
-0.2941631377,
5.8156328201,
-0.5521255136
],
[
0.0543849245,
-0... |
gen-mp-861874 | -8.035719 | -8.09624 | 2.991104 | generated | mp-861874 | Ho2Hg6 | 8 | 6 | 188.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9753513336,
-0.0088344458,
-0.0020167253
],
[
-0.0087635219,
6.3949656487,
-1.7132595778
],
[
-0.0020913871,
... |
gen-mp-1226560 | -8.029976 | -4.892079 | 4.82049 | generated | mp-1226560 | Ni11Pm4Th1Y2Ce2 | 20 | 6 | 410.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2262163162,
0.0029507403,
0.0062930211
],
[
0.0031327645,
4.0551199913,
0.0004967419
],
[
0.0062663173,
0.000... |
gen-mp-1216230 | -7.524684 | 0.66706 | 4.604526 | generated | mp-1216230 | U2Fe17Mo1 | 20 | 1 | 255.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.3026180267,
0.2367770821,
0.1849710941
],
[
0.236748293,
6.3794074059,
0.2575457096
],
[
0.1850069165,
0.2576... |
gen-mp-1076424 | 7.670907 | 6.881205 | -2.17361 | generated | mp-1076424 | Sr1Fe2O5 | 8 | 6 | 108.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5164401531,
0.0058454014,
-0.0098596374
],
[
0.0057743224,
3.4973628521,
0.0096127018
],
[
-0.0099229123,
0.0... |
gen-mp-1206803 | -0.748452 | 0.438867 | -0.666198 | generated | mp-1206803 | Y4I2C4La1 | 11 | 156 | 270.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9948673248,
-1.0936784744,
0.0044223592
],
[
-1.0937116146,
4.0054106712,
0.0024764256
],
[
0.0044968445,
0.0... |
gen-mp-1227647 | 11.033413 | 9.171228 | 2.134905 | generated | mp-1227647 | Cu1O2Th1 | 4 | 160 | 69.78 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7513644695,
0.9368007183,
0.7579363585
],
[
0.9368957877,
3.7314727306,
0.7476046085
],
[
0.7579322457,
0.747... |
gen-mp-867854 | -5.586593 | -7.058032 | 3.742894 | generated | mp-867854 | Ca4Rh2 | 6 | 12 | 166.45 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6604743004,
1.1956298351,
0.8485146165
],
[
1.1955831051,
4.654499054,
0.831017673
],
[
0.8485611677,
0.83097... |
gen-mp-1186406 | -6.213147 | -1.173527 | 4.203131 | generated | mp-1186406 | Tc14Th2 | 16 | 1 | 267.13 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7910633087,
0.0236688517,
0.0496829674
],
[
0.0236535966,
6.7868270874,
-0.2544035316
],
[
0.0496660694,
-0.2... |
gen-mp-989621 | 0.33246 | 1.926634 | 1.9907 | generated | mp-989621 | Tc2N2 | 4 | 8 | 42.55 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.746155262,
-0.7333260775,
-0.0105388565
],
[
-0.7333700657,
2.7740602493,
0.0011135583
],
[
-0.0105148507,
0.... |
gen-mp-1183728 | -3.739782 | 0.040129 | -2.833833 | generated | mp-1183728 | Tc6S8Co2 | 16 | 1 | 242.18 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.210952282,
-0.0331414789,
0.1422068775
],
[
-0.0330373421,
6.2086663246,
0.4329500794
],
[
0.1422091722,
0.43... |
gen-mp-12614 | -6.103487 | -7.008609 | 4.324006 | generated | mp-12614 | Ca4Th2Cu3Tc1 | 10 | 6 | 274.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4539680481,
-0.0251804031,
-0.0279717557
],
[
-0.0251934044,
7.8741254807,
-0.139652133
],
[
-0.0279727541,
-... |
gen-mp-865368 | -8.664162 | -6.372708 | 6.964367 | generated | mp-865368 | Tm4Os1Ni1 | 6 | 1 | 138.5 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.4160761833,
-1.3902300596,
-0.9265518188
],
[
-1.3901640177,
5.4106068611,
-0.9360318184
],
[
-0.9265371561,
... |
gen-mp-569109 | -4.756226 | -2.558386 | -3.832302 | generated | mp-569109 | Mn2Pb1Se6Bi1 | 10 | 1 | 229.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0066609383,
0.9696419239,
0.5066976547
],
[
0.9696676731,
4.1388373375,
0.4086629748
],
[
0.5068249702,
0.408... |
gen-mp-558059 | 10.729058 | 0.882467 | 1.796852 | generated | mp-558059 | Mn1F2 | 3 | 12 | 43.98 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2283875942,
0.8175131679,
0.6666221023
],
[
0.8175499439,
3.2284452915,
0.6444517374
],
[
0.6665095091,
0.644... |
gen-mp-1019108 | -6.694031 | -5.557133 | 6.745335 | generated | mp-1019108 | Sm6Co6Pm1Si3 | 16 | 156 | 336.73 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8529586792,
-1.046587348,
-0.0069956258
],
[
-1.0466678143,
3.8654749393,
0.0251712743
],
[
-0.0069336472,
0.... |
gen-mp-640922 | -8.135581 | -4.195107 | 3.479145 | generated | mp-640922 | Pt4In2Ce1Th1 | 8 | 8 | 175.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5083594322,
-1.2271481752,
-0.0004007795
],
[
-1.2271196842,
4.4919805527,
0.0099717472
],
[
-0.0004006799,
0... |
gen-mp-755570 | -2.859688 | -2.690665 | -3.888105 | generated | mp-755570 | S5U3Ni3 | 11 | 6 | 203.89 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6333699226,
-0.0062999884,
-0.0146654295
],
[
-0.0063565355,
4.4296126366,
-0.2500822544
],
[
-0.0146422172,
... |
gen-mp-999137 | -4.332791 | -3.924506 | -3.847961 | generated | mp-999137 | Sm3Tl3Se6 | 12 | 156 | 359.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1023230553,
-1.0944617987,
0.0293958597
],
[
-1.0943824053,
4.0982322693,
-0.0175608024
],
[
0.0294025969,
-0... |
gen-mp-1211573 | -6.776862 | -6.30365 | 5.765344 | generated | mp-1211573 | La6Pb2 | 8 | 8 | 268.55 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8976163864,
-0.0066722571,
-0.0130435945
],
[
-0.0066357828,
6.997010231,
-1.839800477
],
[
-0.0130058918,
-1... |
gen-mp-1079861 | -7.796713 | -2.76899 | 5.307586 | generated | mp-1079861 | Co4Tm4Ge8 | 16 | 1 | 275.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0898799896,
-0.0003632344,
0.0022763058
],
[
-0.0003227172,
6.7181997299,
-0.0126658557
],
[
0.0022920978,
-0... |
gen-mp-1183841 | -6.836419 | -6.704457 | 6.955732 | generated | mp-1183841 | Pm2Ho4Th2 | 8 | 1 | 257.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.716211319,
-0.00163296,
0.0115421563
],
[
-0.0016376465,
6.9647192955,
-1.8595249653
],
[
0.0115161855,
-1.85... |
gen-mp-1188660 | 9.661647 | 11.03087 | -0.188117 | generated | mp-1188660 | Ba1O2Ir1 | 4 | 8 | 59.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4100506306,
0.8746849895,
0.6309041977
],
[
0.8746685982,
3.3932929039,
0.6296681166
],
[
0.630900085,
0.6296... |
gen-mp-776439 | 11.277012 | 8.657325 | 2.398847 | generated | mp-776439 | O6Sm3Pa1 | 10 | 1 | 171.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8969593048,
1.4822789431,
1.4855611324
],
[
1.4823102951,
5.8974580765,
1.4818646908
],
[
1.4855685234,
1.481... |
gen-mp-1102042 | -7.651865 | -4.357145 | 4.073349 | generated | mp-1102042 | Th2Cu3Tc1Ge2Ti2 | 10 | 25 | 195.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2976660728,
-0.0182395503,
-0.0114365239
],
[
-0.0183519609,
4.2874093056,
0.0274101738
],
[
-0.0113677178,
0... |
gen-mp-1184302 | -7.394343 | -6.844465 | 7.173556 | generated | mp-1184302 | Tm11Th2Pm2Ir1 | 16 | 1 | 503.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.5415034294,
-0.0095298709,
-0.0267543197
],
[
-0.0095099779,
7.1671648026,
-0.0029809598
],
[
-0.0267802142,
... |
gen-mp-570589 | -3.309353 | -1.115105 | -3.930231 | generated | mp-570589 | Se7Br3 | 10 | 1 | 342.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4860668182,
-1.2548979521,
-0.8474838734
],
[
-1.2549735308,
5.1403455734,
0.2877160311
],
[
-0.8473778367,
0... |
gen-mp-1221664 | -6.079659 | -3.483458 | -2.479426 | generated | mp-1221664 | Te1Cd2 | 3 | 8 | 100.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2060003281,
1.0685968399,
0.8233979344
],
[
1.0685867071,
4.1895747185,
0.8286235332
],
[
0.8233768344,
0.828... |
gen-mp-1206662 | -1.186555 | 2.64344 | -2.679334 | generated | mp-1206662 | I6Cs2U1 | 9 | 1 | 550.11 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.1325278282,
-0.0050391224,
0.001169493
],
[
-0.0050467504,
8.8912506104,
-2.1490347385
],
[
0.0011839471,
-2.... |
gen-mp-1079088 | 8.393811 | 1.807122 | -0.432318 | generated | mp-1079088 | As1F6Na1 | 8 | 1 | 112.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8124141693,
-1.3995792866,
-1.3297493458
],
[
-1.399651289,
5.0447010994,
-0.1847129464
],
[
-1.3298105001,
-... |
gen-mp-1232056 | -4.783882 | -2.949434 | -3.887764 | generated | mp-1232056 | Se6Mg1In3 | 10 | 1 | 291.33 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0460190773,
-0.019813722,
0.0217331611
],
[
-0.0198596548,
6.5266385078,
-0.5082908869
],
[
0.021649953,
-0.5... |
gen-mp-1206485 | -5.226053 | -4.063523 | 4.819083 | generated | mp-1206485 | La2Si4Pt3 | 9 | 6 | 194.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4451899529,
0.0010099951,
0.0187967606
],
[
0.0008467948,
4.4208850861,
0.0037186039
],
[
0.0188210644,
0.003... |
gen-mp-1225061 | -9.358934 | -4.894007 | 4.12606 | generated | mp-1225061 | Th1Cu7Pu1Si1 | 10 | 1 | 168.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2503175735,
-0.0152964089,
-0.029264044
],
[
-0.015229363,
6.3683905602,
-0.6410073042
],
[
-0.0292201899,
-0... |
gen-mp-1106022 | -7.860704 | -3.681399 | 4.408446 | generated | mp-1106022 | Ge3Rh2Y1 | 6 | 1 | 128.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5278253555,
-0.090431124,
-0.9952072501
],
[
-0.090361692,
4.5435395241,
-0.977486074
],
[
-0.9953240156,
-0.... |
gen-mp-1039574 | -6.200094 | -6.048807 | 5.995333 | generated | mp-1039574 | Th3Ce2Mg1 | 6 | 6 | 171.18 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3218975067,
0.0101851681,
-0.0133230239
],
[
0.0101163713,
3.3308255672,
-0.0014698566
],
[
-0.0133283511,
-0... |
gen-mp-1183602 | -6.593684 | -6.86339 | 6.913385 | generated | mp-1183602 | Ac1Pm4La3Th2 | 10 | 6 | 355.4 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6458127499,
0.0152431196,
0.0024283007
],
[
0.0151306409,
8.9594116211,
-1.5552612543
],
[
0.0024456978,
-1.5... |
gen-mp-1071448 | -7.326454 | -4.676625 | 5.663502 | generated | mp-1071448 | Ce2Co2 | 4 | 8 | 69.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3531680107,
1.0787687302,
1.0906068087
],
[
1.0787827969,
4.3601031303,
1.0930413008
],
[
1.0906287432,
1.092... |
gen-mp-1112435 | -0.587 | 1.344134 | -4.368501 | generated | mp-1112435 | Br9K2Au1 | 12 | 1 | 437.06 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8274912834,
-1.3733193874,
0.0141704921
],
[
-1.3731125593,
7.0720300674,
-0.826523602
],
[
0.0141876284,
-0.... |
gen-mp-862704 | -7.823421 | -4.121374 | 3.532619 | generated | mp-862704 | Zn2U1Pt1 | 4 | 216 | 72.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4341893196,
1.1025295258,
1.1105114222
],
[
1.1025094986,
4.4190778732,
1.1010520458
],
[
1.1104694605,
1.101... |
gen-mp-1519537 | 10.362966 | 8.78618 | 1.806038 | generated | mp-1519537 | O5Ce1Sr2V1Pa1 | 10 | 1 | 261.05 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4190039635,
-0.0648531094,
-0.3896454871
],
[
-0.0647974908,
5.3040027618,
-0.7567036748
],
[
-0.3897200227,
... |
gen-mp-1520532 | 7.181108 | 8.49825 | -0.277113 | generated | mp-1520532 | Sr2Pm2O6 | 10 | 5 | 172.08 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8585424423,
1.436846137,
1.4781643152
],
[
1.4368619919,
5.8912777901,
1.4481343031
],
[
1.4782098532,
1.4482... |
gen-mp-865173 | -6.812555 | -7.870991 | 5.13277 | generated | mp-865173 | Ac6Hg2 | 8 | 8 | 285.06 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.9189610481,
-0.0084924605,
0.0072317845
],
[
-0.0084822197,
7.2062931061,
-1.9306175709
],
[
0.0071691456,
-1... |
gen-mp-13063 | 6.834724 | 8.590483 | -1.725806 | generated | mp-13063 | O4Tb2F1 | 7 | 1 | 93.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8664999008,
-0.0097742891,
0.0245617852
],
[
-0.0098445248,
4.3144650459,
-0.3183303475
],
[
0.0246630162,
-0... |
gen-mp-9351 | -8.565489 | -6.194807 | 3.328833 | generated | mp-9351 | Ge3Lu3Au3 | 9 | 6 | 182.39 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9193837643,
0.0255821235,
-0.0006205785
],
[
0.0256304722,
7.0767807961,
-1.8974297047
],
[
-0.000520219,
-1.... |
gen-mp-761177 | 14.671029 | 12.358147 | -2.749427 | generated | mp-761177 | V2F2O3 | 7 | 1 | 86.64 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8877458572,
-0.5831370354,
-0.4848532379
],
[
-0.5832309127,
5.098285675,
-0.2053173929
],
[
-0.4848684967,
-... |
gen-mp-1214655 | 11.633826 | 8.671859 | 1.8966 | generated | mp-1214655 | O2Th2 | 4 | 8 | 67.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4531946182,
0.8663415909,
0.6227617264
],
[
0.8662246466,
3.4527492523,
0.6185290217
],
[
0.6228231788,
0.618... |
gen-mp-1186196 | -7.281389 | -7.010278 | 6.061614 | generated | mp-1186196 | Y6Tl3La1 | 10 | 1 | 323.27 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3774867058,
-1.4386547804,
0.0045752181
],
[
-1.438647151,
5.3643145561,
0.0012824035
],
[
0.004534062,
0.001... |
gen-mp-1226293 | -5.604251 | 0.03716 | -5.598547 | generated | mp-1226293 | Cr4S6 | 10 | 8 | 181.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3926100731,
-0.9162338376,
-0.0078225164
],
[
-0.9162316918,
3.3953003883,
0.0019219572
],
[
-0.0077805505,
0... |
gen-mp-19248 | 11.989227 | 8.611959 | 2.337028 | generated | mp-19248 | Pm3Pu2O9Sm2Nd1U1 | 18 | 1 | 292.86 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9727890491,
0.0400453135,
-0.3777509928
],
[
0.039999485,
4.0379471779,
-0.4245278239
],
[
-0.3777647018,
-0.... |
gen-mp-1080183 | -5.202013 | -1.922201 | 1.257589 | generated | mp-1080183 | P4La2Rh2 | 8 | 63 | 151.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3763360977,
-0.0068248501,
0.0103868078
],
[
-0.0068589896,
4.2601900101,
-0.7573020458
],
[
0.0103742778,
-0... |
gen-mp-754781 | 12.782269 | 9.113881 | 0.279337 | generated | mp-754781 | Ga5O7 | 12 | 8 | 135.03 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0157504082,
-0.8150179386,
-0.0238387734
],
[
-0.8150316477,
3.0191047192,
0.0169420503
],
[
-0.0238754973,
0... |
gen-mp-1229023 | -5.950922 | -0.626507 | 3.396946 | generated | mp-1229023 | Mo4 | 4 | 5 | 62.12 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1878051758,
1.0569220781,
1.0517798662
],
[
1.0569624901,
4.1860647202,
1.047424078
],
[
1.0518192053,
1.0474... |
gen-mp-1218926 | -4.828839 | -2.122765 | -3.101828 | generated | mp-1218926 | Pt4Se5Sn1 | 10 | 156 | 218.41 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7630352974,
-1.008711338,
-0.0105149755
],
[
-1.0087412596,
3.7931697369,
0.0030700017
],
[
-0.0104953051,
0.... |
gen-mp-1187962 | -7.263728 | -3.744874 | 3.004478 | generated | mp-1187962 | Rh3Bi1U2 | 6 | 8 | 129.84 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2858757973,
1.1774904728,
1.1685121059
],
[
1.1774270535,
5.285068512,
1.1648663282
],
[
1.1685546637,
1.1649... |
gen-mp-1104368 | -6.433813 | -5.104364 | 5.096272 | generated | mp-1104368 | Ge3Pr2Li3 | 8 | 8 | 166.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9548561573,
-0.0072144954,
-0.587505281
],
[
-0.0072384602,
4.3517131805,
-0.0051967166
],
[
-0.587508738,
-0... |
gen-mp-867857 | 2.881834 | -0.441021 | -1.754994 | generated | mp-867857 | H9Th2Pm1Np1 | 13 | 1 | 158.24 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9485301971,
-0.1342820227,
-1.1588497162
],
[
-0.1342747211,
5.3718624115,
-1.3128592968
],
[
-1.158905983,
-... |
gen-mp-605034 | 8.900766 | 1.101051 | -0.627825 | generated | mp-605034 | F5K1Ni1 | 7 | 1 | 115.52 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9977726936,
-0.4554672539,
-0.4168062806
],
[
-0.4554705322,
4.8310966492,
-0.1822355688
],
[
-0.4168321192,
... |
gen-mp-1025001 | -9.292937 | -1.331971 | 2.835403 | generated | mp-1025001 | Ni6Th1 | 7 | 38 | 101.86 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9883902073,
0.007057609,
-0.0071587409
],
[
0.0070704054,
3.9533355236,
-0.7800755501
],
[
-0.0071413838,
-0.... |
gen-mp-568827 | -5.275868 | -1.6338 | 4.511205 | generated | mp-568827 | Pu2Be10Tc2 | 14 | 1 | 173.63 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6399445534,
1.4595172405,
1.6531630754
],
[
1.4595704079,
6.1583695412,
0.8162977099
],
[
1.6531803608,
0.816... |
gen-mp-553964 | 10.536145 | 11.164509 | -3.091919 | generated | mp-553964 | O3W1 | 4 | 38 | 57.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8729302883,
-0.0004811704,
0.0124410037
],
[
-0.0004453553,
3.8634238243,
-0.0061806408
],
[
0.0123919332,
-0... |
gen-mp-27236 | 8.281314 | 2.135611 | -0.844748 | generated | mp-27236 | Sb2F10 | 12 | 1 | 183.43 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9840531349,
1.2982971668,
0.9100478292
],
[
1.298322916,
5.3884320259,
0.317119211
],
[
0.9099547267,
0.31722... |
gen-mp-1221562 | -4.668076 | -2.871734 | -4.117311 | generated | mp-1221562 | Ga4Zn1Se3 | 8 | 8 | 196.8 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.6627035141,
-0.1740206182,
-1.3853565454
],
[
-0.1740385145,
5.6666855812,
-1.3826328516
],
[
-1.3853231668,
... |
gen-mp-16293 | 8.607155 | 9.395834 | -2.030397 | generated | mp-16293 | O6Sb2K1 | 9 | 5 | 152.48 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2358403206,
-1.3706768751,
-0.0012112041
],
[
-1.3706519604,
5.2321763039,
0.0253153369
],
[
-0.0011657146,
0... |
gen-mp-862588 | -6.594772 | -2.806633 | 4.800172 | generated | mp-862588 | Tc4Th1Pm3 | 8 | 8 | 191.55 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.506966114,
-1.5103161335,
-0.0967091173
],
[
-1.5103180408,
5.4889593124,
-0.5924830437
],
[
-0.0968151391,
-... |
gen-mp-1216833 | 11.213308 | 9.635307 | 2.532498 | generated | mp-1216833 | U1O7Pu1Nb1 | 10 | 1 | 129.6 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7942128181,
0.0505560488,
-0.4704149663
],
[
0.0505410284,
4.2239308357,
-0.6348730326
],
[
-0.4706413448,
-0... |
gen-mp-29174 | 1.761629 | 2.134259 | -4.551674 | generated | mp-29174 | Si6Tc1Cl9 | 16 | 1 | 453.84 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.0654964447,
0.4681609571,
1.6030608416
],
[
0.4681613445,
8.0066900253,
0.6512351632
],
[
1.6030086279,
0.651... |
gen-mp-20817 | -4.533825 | -2.327441 | -3.229106 | generated | mp-20817 | Ge2Se4Pt2 | 8 | 2 | 167.24 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7927262783,
-0.0050550615,
0.4203470647
],
[
-0.0050942567,
3.8002083302,
0.2352328598
],
[
0.4202966988,
0.2... |
gen-mp-1094422 | -7.436428 | -10.967838 | 5.274592 | generated | mp-1094422 | Mg3Zn1 | 4 | 8 | 80.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5693421364,
1.1342238188,
1.1268543005
],
[
1.1342388391,
4.5553631783,
1.1401103735
],
[
1.1268197298,
1.140... |
gen-mp-1221056 | 7.830852 | 9.270397 | 0.264042 | generated | mp-1221056 | O7Pu1Ti1Ca1Sr1 | 11 | 8 | 159.82 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9540746212,
-0.0101477066,
0.0315275379
],
[
-0.0102512194,
3.9210269451,
0.0039241952
],
[
0.031471841,
0.00... |
gen-mp-1188668 | 10.265574 | 6.556611 | -3.8424 | generated | mp-1188668 | Fe1H1O2 | 4 | 8 | 38.63 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.9222316742,
-0.7974045873,
-0.5990814567
],
[
-0.7974422574,
2.9794509411,
-0.0618165284
],
[
-0.5990183949,
... |
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