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-1215271 | -7.727642 | -1.786738 | 4.931145 | generated | mp-1215271 | U1Fe1Co1 | 3 | 8 | 49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7083828449,
-0.6185017824,
0.3322305679
],
[
-0.618490696,
3.7434060574,
-0.3132208288
],
[
0.3322745264,
-0.... |
gen-mp-1186135 | -6.508102 | -6.851364 | 2.947699 | generated | mp-1186135 | Li3Sn1 | 4 | 44 | 71.65 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4135503769,
1.1128951311,
1.099044323
],
[
1.1128367186,
4.3800606728,
1.1029626131
],
[
1.0990370512,
1.1029... |
gen-mp-978498 | -6.586358 | -5.472517 | 5.162518 | generated | mp-978498 | Ce1Sc7U2 | 10 | 156 | 246.78 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1179816723,
-0.8356152773,
0.0000441688
],
[
-0.8356152773,
3.119887352,
-0.0084287925
],
[
0.0000704561,
-0.... |
gen-mp-1104786 | 0.474989 | 2.047657 | 1.890367 | generated | mp-1104786 | U1Ca3N5Tc5Cr2 | 16 | 1 | 253.65 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5861926079,
-0.6917848587,
-0.8096210957
],
[
-0.6917222142,
8.226392746,
-2.7154717445
],
[
-0.8096396923,
-... |
gen-mp-760512 | 8.746051 | 3.92945 | -7.562527 | generated | mp-760512 | Cu3O4Li1S1C1 | 10 | 1 | 115.03 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9486021996,
0.7269189954,
0.7619490623
],
[
0.7269038558,
5.1666498184,
0.6606984735
],
[
0.7620332241,
0.660... |
gen-mp-1025155 | -7.65729 | -4.06315 | 5.339784 | generated | mp-1025155 | Ga7U2Co1 | 10 | 1 | 172.61 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1415791512,
4.786e-7,
-0.0021540655
],
[
-0.0000022855,
4.1252641678,
0.0050714267
],
[
-0.0021224937,
0.0051... |
gen-mp-861982 | -7.205829 | -3.5028 | 5.515492 | generated | mp-861982 | Cr1Pa2Ga2 | 5 | 8 | 102.4 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8843278885,
-0.113383323,
-0.8225716949
],
[
-0.1134416163,
5.111533165,
-1.3085740805
],
[
-0.8225813508,
-1... |
gen-mp-7457 | 9.04951 | 2.519052 | 1.62272 | generated | mp-7457 | Sn6F8 | 14 | 1 | 272.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3052239418,
-0.8302549124,
-0.1655524224
],
[
-0.8303129077,
7.2294011116,
-1.4915630817
],
[
-0.165540278,
-... |
gen-mp-28508 | 11.163278 | 4.234202 | -3.976526 | generated | mp-28508 | Cd1H2O2 | 5 | 1 | 50.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4259314537,
-0.9225113988,
0.2661694288
],
[
-0.9224672318,
3.4362194538,
-0.2326823175
],
[
0.2662402987,
-0... |
gen-mp-1224291 | -4.395015 | 0.909783 | 3.107816 | generated | mp-1224291 | B5Hf3Tc1U1 | 10 | 6 | 130.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1550543308,
-0.0054243971,
-0.0014762075
],
[
-0.0054225484,
3.4701185226,
-0.3931670785
],
[
-0.001482046,
-... |
gen-mp-1227198 | 8.867013 | 8.734054 | 2.255773 | generated | mp-1227198 | Cu1Pm3Ac1O8Zn1 | 14 | 1 | 217.5 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0254387856,
0.0044365278,
0.0101207737
],
[
0.0044455579,
4.0074000359,
-0.0179670639
],
[
0.0101134423,
-0.0... |
gen-mp-977392 | -7.562937 | -7.526043 | 6.679559 | generated | mp-977392 | Ho3Mg2 | 5 | 166 | 138.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0781331062,
1.2793747187,
1.1543866396
],
[
1.279312253,
5.0832257271,
1.1545953751
],
[
1.1544840336,
1.1546... |
gen-mp-639751 | -0.988512 | 2.444017 | -3.033123 | generated | mp-639751 | I8Cr2 | 10 | 1 | 432.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.9942731857,
0.0183309447,
0.040396627
],
[
0.0183068588,
8.1832714081,
0.0199970677
],
[
0.0404342711,
0.0200... |
gen-mp-12832 | 6.554919 | 8.619338 | -2.391322 | generated | mp-12832 | O3Ba1 | 4 | 160 | 60.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1263461113,
1.0427349806,
1.0322588682
],
[
1.042758584,
4.1599874496,
1.0367250443
],
[
1.0323107243,
1.0367... |
gen-mp-19121 | 11.564521 | 9.086304 | 2.351794 | generated | mp-19121 | Pu2O2 | 4 | 8 | 67.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.937841177,
-1.0745933056,
-0.0044305273
],
[
-1.0745800734,
3.9353606701,
-0.0051498907
],
[
-0.0044278889,
-... |
gen-mp-556807 | 11.926826 | 10.392534 | -0.346637 | generated | mp-556807 | Ba4W3O12Cu1 | 20 | 1 | 372.75 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7843103409,
1.4858965874,
0.9163030982
],
[
1.4858547449,
6.0480318069,
1.1211246252
],
[
0.9162766337,
1.121... |
gen-mp-1216822 | -4.867216 | -3.926336 | 1.621558 | generated | mp-1216822 | S2U8P2 | 12 | 1 | 342.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.348133564,
1.1981782913,
0.0013158626
],
[
1.1983315945,
4.3213253021,
0.0024855065
],
[
0.0012172445,
0.0024... |
gen-mp-1184136 | -7.218149 | -8.27095 | 6.197489 | generated | mp-1184136 | Mg8Pm1Pa3Th1 | 13 | 8 | 345.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7980308533,
-1.5870239735,
-0.021641653
],
[
-1.587007761,
5.830988884,
0.0043492429
],
[
-0.0216347966,
0.00... |
gen-mp-1224149 | -6.91674 | -4.499781 | 5.404751 | generated | mp-1224149 | Ho4Ge8 | 12 | 6 | 253.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0301294327,
0.0043893722,
-0.0063529341
],
[
0.0043352069,
4.1130466461,
-0.0026900589
],
[
-0.0063508423,
-0... |
gen-mp-1208994 | 8.708622 | 4.498287 | -4.279416 | generated | mp-1208994 | Tl1S2O1 | 4 | 8 | 89.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7223985195,
0.0103860935,
0.7203420997
],
[
0.0103810253,
4.127322197,
-0.1682191342
],
[
0.7203581929,
-0.16... |
gen-mp-567510 | -6.095535 | -6.628289 | 2.831443 | generated | mp-567510 | Ba6Sn10 | 16 | 25 | 536.5 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1923732758,
-0.0177993923,
-0.006598915
],
[
-0.0177634321,
5.1871275902,
-0.0072277295
],
[
-0.0064109303,
-... |
gen-mp-755615 | 11.946289 | 8.813576 | 1.72435 | generated | mp-755615 | Li1O2U1 | 4 | 8 | 56.92 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3839139938,
-0.9112380743,
0.0203753691
],
[
-0.9112384915,
3.3882837296,
0.0164559893
],
[
0.0203707498,
0.0... |
gen-mp-28319 | -1.187793 | 1.95612 | -3.19327 | generated | mp-28319 | I6Pt4 | 10 | 1 | 272.48 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.3384776115,
1.2140059471,
0.1692770869
],
[
1.2140806913,
5.9490199089,
0.1189588308
],
[
0.1691127121,
0.119... |
gen-mp-867278 | -6.10406 | -3.235882 | 4.76631 | generated | mp-867278 | Pa7Tc5 | 12 | 1 | 264.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.873978138,
-1.220813036,
-0.0193186142
],
[
-1.2208091021,
5.7788381577,
0.1219922602
],
[
-0.01930793,
0.122... |
gen-mp-861886 | -7.182609 | -7.47258 | 4.374491 | generated | mp-861886 | Dy2Hg2Li4 | 8 | 2 | 178.02 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7082862854,
0.0341605172,
0.0009112789
],
[
0.0342481025,
5.8963308334,
-1.0792145729
],
[
0.0009001142,
-1.0... |
gen-mp-1187827 | -6.53254 | -6.687459 | 2.398761 | generated | mp-1187827 | Tl5In15 | 20 | 1 | 599.38 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.8916015625,
-2.0849626064,
-1.7532000542
],
[
-2.0850262642,
8.9430656433,
-1.5137099028
],
[
-1.753289938,
-... |
gen-mp-19737 | -5.394555 | -2.601112 | 5.867645 | generated | mp-19737 | Mn3La2Si3 | 8 | 156 | 159.78 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8586275578,
-1.0428313017,
-0.0016499126
],
[
-1.0428429842,
3.8615305424,
0.0004432299
],
[
-0.0016532526,
0... |
gen-mp-1218979 | -3.667057 | -3.995178 | 0.816377 | generated | mp-1218979 | Zn1Ag3P3Sm1 | 8 | 6 | 148.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1121301651,
-0.0228328016,
-0.0126651172
],
[
-0.0228770617,
4.1435174942,
0.010935694
],
[
-0.0126780104,
0.... |
gen-mp-15009 | -8.359153 | -3.182566 | 4.294042 | generated | mp-15009 | La1Rh2Ge1 | 4 | 160 | 81.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0957245827,
1.0623679161,
0.8867515326
],
[
1.0623550415,
4.0880794525,
0.8822525144
],
[
0.8868256211,
0.882... |
gen-mp-1189376 | -4.732644 | -3.352513 | -3.63552 | generated | mp-1189376 | Sm1Ba1Se4 | 6 | 1 | 163.8 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2243623734,
0.005821499,
-0.0041598957
],
[
0.0059074615,
4.2208623886,
0.0058392142
],
[
-0.0041457955,
0.00... |
gen-mp-1111649 | -1.621925 | -0.667927 | -0.767819 | generated | mp-1111649 | Th6K1U1Br8Na1Tl1In1Lu1 | 20 | 1 | 704.12 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0942983627,
0.738853395,
0.2688055336
],
[
0.7388034463,
7.1896271706,
0.986533463
],
[
0.2687736452,
0.98648... |
gen-mp-1219783 | 1.546643 | 2.436047 | -5.282866 | generated | mp-1219783 | Fe1Cl6Ac1 | 8 | 1 | 289.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.9863753319,
1.7701884508,
1.7482584715
],
[
1.7701632977,
7.0080280304,
1.7365813255
],
[
1.7482632399,
1.736... |
gen-mp-1218409 | 2.178886 | 2.281902 | 1.720298 | generated | mp-1218409 | Ca1Si2N3 | 6 | 139 | 63.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5587780476,
-0.0746105313,
-0.7432801723
],
[
-0.0745055974,
3.5268201828,
-0.7332465649
],
[
-0.7432085276,
... |
gen-mp-1221932 | -8.173562 | -7.414988 | 3.204128 | generated | mp-1221932 | Zn3Mg2Ag1 | 6 | 1 | 105.61 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0066304207,
0.0018753174,
-0.4138370454
],
[
0.0018572879,
4.6413984299,
-0.017156845
],
[
-0.4138125479,
-0.... |
gen-mp-1225514 | -9.270116 | -4.778393 | 4.081157 | generated | mp-1225514 | Ga3Cu5Th1 | 9 | 6 | 145.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3368153572,
0.0043618493,
-0.0056465119
],
[
0.0044053737,
4.3711767197,
-0.0074166371
],
[
-0.0056310352,
-0... |
gen-mp-567258 | -7.484159 | -6.793084 | 5.337228 | generated | mp-567258 | La4Zn4Ac2 | 10 | 1 | 282.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8832278252,
0.0224788785,
0.0013897624
],
[
0.0225001853,
7.6183438301,
0.0059630331
],
[
0.0014338866,
0.005... |
gen-mp-12723 | -7.420823 | -6.356064 | 3.670232 | generated | mp-12723 | Ca8Pm1Au6Tc3 | 18 | 1 | 443.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.4108710289,
1.7946599722,
0.3771753907
],
[
1.7946910858,
5.6353878975,
0.1213516518
],
[
0.3771505654,
0.121... |
gen-mp-1209825 | -8.103815 | -6.681964 | 5.064399 | generated | mp-1209825 | Nd4Li1Ag4Mg3 | 12 | 1 | 295.89 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.9517273903,
-1.6229752302,
-0.0049991175
],
[
-1.6228390932,
5.8210372925,
-0.0134512307
],
[
-0.0049812752,
... |
gen-mp-754546 | 12.608368 | 10.664063 | 1.146751 | generated | mp-754546 | Li2O6Cu1Nb2Fe1 | 12 | 156 | 144.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4964427948,
-0.935208559,
-0.0023354678
],
[
-0.9353262782,
3.4884848595,
-0.0031783187
],
[
-0.002480417,
-0... |
gen-mp-1222470 | -7.05497 | -1.328162 | 6.107659 | generated | mp-1222470 | Al6U1Fe3 | 10 | 6 | 141.65 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.963568449,
0.0163397249,
-0.0039268229
],
[
0.0163201559,
2.9651896954,
0.0047460268
],
[
-0.0039680777,
0.00... |
gen-mp-31168 | -6.544833 | -7.065303 | 3.295451 | generated | mp-31168 | Li5Al1Ag2 | 8 | 1 | 134.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7175910473,
-0.0610124655,
-0.5860161185
],
[
-0.0610015951,
4.1053657532,
-0.6685768366
],
[
-0.5860479474,
... |
gen-mp-557825 | 7.529567 | 1.980541 | -4.157714 | generated | mp-557825 | H4C2N4 | 10 | 1 | 92.31 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8051924706,
-0.132074967,
-0.1832770854
],
[
-0.1320694685,
5.1695084572,
-0.9368964434
],
[
-0.1833080351,
-... |
gen-mp-6309 | 11.824089 | 8.293302 | 2.915553 | generated | mp-6309 | Cu2Th2La1P2O2 | 9 | 1 | 169.8 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0628290176,
-0.0432341881,
-0.5858911276
],
[
-0.0432317369,
4.0897164345,
-0.5773578286
],
[
-0.5859114528,
... |
gen-mp-972895 | -8.87722 | -6.323293 | 2.58811 | generated | mp-972895 | Au6Pa2 | 8 | 8 | 172.63 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9006524086,
-0.0037051013,
-0.0018070643
],
[
-0.0038113554,
6.155503273,
-1.6594769955
],
[
-0.0018594144,
-... |
gen-mp-1181839 | -4.625612 | -2.919095 | -3.737955 | generated | mp-1181839 | Cs4Se9Sn3 | 16 | 1 | 623.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.8830599785,
0.2223142236,
-0.643899858
],
[
0.2223098725,
7.3340187073,
-0.2601853609
],
[
-0.6436902881,
-0.... |
gen-mp-1542758 | 10.174785 | 10.529548 | -3.798697 | generated | mp-1542758 | Mo1O3 | 4 | 6 | 57.43 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8517742157,
-0.0024083355,
0.0070654722
],
[
-0.0024124521,
3.8669607639,
0.0203831755
],
[
0.007073353,
0.02... |
gen-mp-865148 | -5.997845 | -1.664687 | 4.322627 | generated | mp-865148 | Pa5Tc7 | 12 | 1 | 234.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.722035408,
-1.6269276142,
0.2171940058
],
[
-1.6269587278,
5.6974377632,
0.0089648264
],
[
0.2171396315,
0.00... |
gen-mp-1226608 | 9.388091 | 8.584184 | 2.377397 | generated | mp-1226608 | Pr3O7Np1 | 11 | 1 | 194.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.840233326,
-0.0965441093,
-0.0740676075
],
[
-0.0965507552,
5.7679510117,
0.1170303971
],
[
-0.0740633607,
0.... |
gen-mp-8467 | -7.539393 | -4.119997 | 5.339014 | generated | mp-8467 | Ge7Ni3Y4 | 14 | 1 | 264.13 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9829571247,
-0.0055305478,
-0.3829756975
],
[
-0.0055245911,
3.9968676567,
-0.3625947535
],
[
-0.3829013705,
... |
gen-mp-1186626 | -6.818576 | -7.202612 | 7.127264 | generated | mp-1186626 | Pm7Sm1 | 8 | 6 | 267.65 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8750329018,
-0.000851261,
-0.0029382256
],
[
-0.0008543837,
6.978828907,
-1.8618340492
],
[
-0.0029801789,
-1... |
gen-mp-20023 | -7.99949 | -6.31797 | 5.380805 | generated | mp-20023 | Pr4In6 | 10 | 6 | 292.11 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8669195175,
0.0032720072,
0.0062642628
],
[
0.0032834113,
7.744758606,
-0.0021020509
],
[
0.0062410217,
-0.00... |
gen-mp-1186205 | -6.054656 | -1.301541 | 4.212494 | generated | mp-1186205 | Tc5Nb2Mo1 | 8 | 6 | 129.27 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0655412674,
-0.0069752438,
-0.0008469203
],
[
-0.006969397,
5.0954771042,
0.0118028242
],
[
-0.0009261749,
0.... |
gen-mp-996978 | 7.837553 | 11.177363 | -0.908741 | generated | mp-996978 | O8Fe1Cu6Au3 | 18 | 1 | 236.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4882273674,
-0.0329721943,
-0.0716186389
],
[
-0.0330360085,
5.082461834,
-0.3584579527
],
[
-0.0716233552,
-... |
gen-mp-1539400 | 11.735217 | 10.451347 | 1.928608 | generated | mp-1539400 | Ta2O12Mo1Sr4Cr1 | 20 | 6 | 267.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0353417397,
-0.0203855336,
0.0240510702
],
[
-0.0203796569,
4.0839266777,
0.0080018546
],
[
0.0240576081,
0.0... |
gen-mp-865178 | -7.091937 | -2.426179 | 4.44496 | generated | mp-865178 | Hf7Tc5Np1Ir1Rh4 | 18 | 1 | 310.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0394797325,
-1.4251834154,
0.3200077116
],
[
-1.4252053499,
5.2361140251,
0.0175643414
],
[
0.3199480474,
0.0... |
gen-mp-510569 | -3.248306 | -2.000013 | -4.941578 | generated | mp-510569 | Th1S3 | 4 | 5 | 147.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2328634262,
1.3656157255,
-0.027767865
],
[
1.3656113148,
5.2143259048,
0.0101093221
],
[
-0.0277730748,
0.01... |
gen-mp-1184081 | -8.785329 | -6.228039 | 6.645759 | generated | mp-1184081 | Er4Ru2 | 6 | 2 | 141.17 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.4668211937,
-1.2994407415,
-0.9953058362
],
[
-1.2994065285,
5.4393968582,
-0.9982801676
],
[
-0.9952093959,
... |
gen-mp-1214755 | -8.308971 | -4.202116 | 2.152463 | generated | mp-1214755 | Pd9B1 | 10 | 8 | 145.61 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8160860538,
0.0145859029,
-0.5504515767
],
[
0.0145805003,
3.8803567886,
0.01369722
],
[
-0.5505547523,
0.013... |
gen-mp-1215843 | -6.461474 | -5.208282 | 5.270024 | generated | mp-1215843 | Yb2Al4U1 | 7 | 8 | 173.17 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7369995117,
1.5516216755,
1.5573226213
],
[
1.5516250134,
5.9151329994,
0.6005593538
],
[
1.5573143959,
0.600... |
gen-mp-1215294 | 12.648538 | 11.196657 | 2.259687 | generated | mp-1215294 | Zr1Ti2O5 | 8 | 6 | 112.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7429461479,
-0.0106521528,
-0.0166941248
],
[
-0.010586299,
3.7871520519,
0.0004111115
],
[
-0.0165919214,
0.... |
gen-mp-756365 | 11.48051 | 8.305589 | 2.231388 | generated | mp-756365 | O5Np4 | 9 | 1 | 148.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1692080498,
-0.0034868224,
-0.5293475389
],
[
-0.003500171,
4.0955924988,
-0.4301380515
],
[
-0.5292975903,
-... |
gen-mp-20587 | -3.282042 | -2.229288 | -5.282788 | generated | mp-20587 | Eu4S5 | 9 | 1 | 234.44 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2149019241,
1.0980250835,
0.4753640592
],
[
1.0981078148,
4.1818242073,
0.4612617195
],
[
0.4754193127,
0.461... |
gen-mp-1238685 | 0.325044 | 1.728733 | -5.010092 | generated | mp-1238685 | Ga1Hg3Cl4S2 | 10 | 8 | 273.7 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9010782242,
-1.046867609,
-0.0097394083
],
[
-1.046741128,
3.9033031464,
-0.0102960048
],
[
-0.0097838538,
-0... |
gen-mp-2879 | 10.044817 | 9.13784 | 1.262592 | generated | mp-2879 | Sr2Sn2O5 | 9 | 8 | 132.84 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2988185883,
-0.010890644,
-0.0077118571
],
[
-0.0108159333,
4.2802205086,
-0.0040144017
],
[
-0.0077514616,
-... |
gen-mp-1225524 | -7.445568 | -6.48346 | 6.337401 | generated | mp-1225524 | Dy2Er3Ge1Si1Re1 | 8 | 1 | 255.8 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.506333828,
0.0331959948,
-0.00805231
],
[
0.0331787951,
6.2218117714,
-1.1269290447
],
[
-0.0080749784,
-1.12... |
gen-mp-23059 | 1.106582 | 1.83489 | -5.070481 | generated | mp-23059 | Cl5Ac2 | 7 | 6 | 197.73 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9975924492,
-0.0011411897,
0.0154210273
],
[
-0.0011446464,
5.012280941,
0.0104933856
],
[
0.0153949484,
0.01... |
gen-mp-867235 | -8.896172 | -5.526075 | 6.206632 | generated | mp-867235 | Y8Rh1Ir6Li1 | 16 | 8 | 359.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2201738358,
-1.1067935228,
-0.0100218412
],
[
-1.1068412066,
4.2402505875,
-0.0197217725
],
[
-0.0099171903,
... |
gen-mp-755281 | 12.696785 | 10.691814 | 0.540304 | generated | mp-755281 | Cr3O4V1 | 8 | 1 | 88.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2305533886,
-0.1843623668,
-0.0688284412
],
[
-0.1844183207,
5.3116607666,
-0.5823717713
],
[
-0.0687887743,
... |
gen-mp-866014 | -7.822253 | -7.272707 | 6.379261 | generated | mp-866014 | Pm4Sm2Hg3Tc1 | 10 | 1 | 293.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.2508721352,
0.2570564747,
0.9864466786
],
[
0.2571061552,
6.4817266464,
0.7477431893
],
[
0.9864739776,
0.747... |
gen-mp-13286 | -5.81539 | -5.539515 | 3.670486 | generated | mp-13286 | Ge3Ca1 | 4 | 8 | 87.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9385361671,
-0.0968727097,
-0.8394859433
],
[
-0.0969222784,
4.0553927422,
-0.8786343932
],
[
-0.8394837976,
... |
gen-mp-1105819 | 9.810575 | 10.726509 | -1.251924 | generated | mp-1105819 | O2Rh1In1 | 4 | 8 | 60.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1220691204,
0.8108977079,
0.4951439798
],
[
0.8108726144,
3.106814146,
0.4867699444
],
[
0.4950766265,
0.4867... |
gen-mp-11281 | -4.351857 | -0.684296 | 4.015873 | generated | mp-11281 | Be3Pu1 | 4 | 8 | 39.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4229934216,
-0.0136256153,
-0.0017219614
],
[
-0.0136234965,
3.4242815971,
0.0133227799
],
[
-0.0017822115,
0... |
gen-mp-1205610 | -4.107876 | -5.501617 | 0.911082 | generated | mp-1205610 | Cs4Pd2P2 | 8 | 1 | 302.6 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5859217644,
-1.3350865841,
0.0096687851
],
[
-1.3350040913,
6.5672101974,
-0.0036550954
],
[
0.0097502703,
-0... |
gen-mp-984729 | 9.512175 | 8.56923 | 1.920718 | generated | mp-984729 | Sr4O4 | 8 | 8 | 137.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6839382648,
0.0076687154,
-0.0131243058
],
[
0.0076395883,
3.6595163345,
0.0127167013
],
[
-0.0131508559,
0.0... |
gen-mp-5598 | 11.629165 | 8.517371 | 2.218968 | generated | mp-5598 | Sm2S1O1 | 4 | 8 | 83.02 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6496305466,
0.9455733895,
0.6427080035
],
[
0.9455780387,
3.6345427036,
0.6459906697
],
[
0.6427024007,
0.645... |
gen-mp-865917 | -5.866349 | -1.62105 | 4.310374 | generated | mp-865917 | Tc3Th1Pa1 | 5 | 44 | 104.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.899324894,
0.7221958041,
0.7542497516
],
[
0.7221258879,
5.5089125633,
1.5771473646
],
[
0.7542572021,
1.5771... |
gen-mp-998417 | -0.910937 | 2.975279 | -3.334178 | generated | mp-998417 | Cs2I2 | 4 | 8 | 197.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.1437859535,
1.5329730511,
1.5507868528
],
[
1.5330815315,
6.1707167625,
1.5480015278
],
[
1.5507513285,
1.548... |
gen-mp-1205970 | -8.653524 | -6.794857 | 5.060525 | generated | mp-1205970 | Mg2Tm1Cu2 | 5 | 8 | 95.8 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0943603516,
0.882412672,
0.891505897
],
[
0.8823836446,
5.1234555244,
1.1266003847
],
[
0.8915458322,
1.12660... |
gen-mp-1218355 | 11.534711 | 8.969171 | 0.837821 | generated | mp-1218355 | Ga2Sr2Li1O6Mn1 | 12 | 6 | 180.98 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3850104809,
0.0087544499,
0.0070487545
],
[
0.008694455,
5.8912682533,
-0.2888479233
],
[
0.00693885,
-0.2888... |
gen-mp-998306 | -0.586313 | 1.335167 | -4.824101 | generated | mp-998306 | Pd1Br5Cs2 | 8 | 1 | 311.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.0324411392,
-1.8301253319,
-1.79510355
],
[
-1.8301241398,
7.2100653648,
-0.704878211
],
[
-1.7951216698,
-0.... |
gen-mp-1217497 | -7.575853 | -3.428373 | 4.873758 | generated | mp-1217497 | Ge4Ni2Nd2 | 8 | 35 | 147.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.11384058,
0.0081944633,
-0.6838434935
],
[
0.0081830295,
4.1692433357,
0.0009573502
],
[
-0.6838145256,
0.000... |
gen-mp-24128 | 12.982712 | 9.492378 | -0.520422 | generated | mp-24128 | Re1H1O2 | 4 | 8 | 50.33 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1278159618,
-0.0686051548,
0.6288216114
],
[
-0.0686040297,
3.4580926895,
0.7060776949
],
[
0.6287594438,
0.7... |
gen-mp-973676 | -3.830812 | -1.458934 | -5.711314 | generated | mp-973676 | Hg2S2 | 4 | 160 | 107.05 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0030918121,
-1.1314469576,
-0.7899807692
],
[
-1.1314083338,
4.0835900307,
-0.0852769017
],
[
-0.7900330424,
... |
gen-mp-24149 | 11.994494 | 8.82147 | 1.881745 | generated | mp-24149 | Ce1O2U1 | 4 | 160 | 60.86 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2472577095,
0.856346786,
0.5496736169
],
[
0.8563196063,
3.2458846569,
0.54382056
],
[
0.5496355295,
0.543680... |
gen-mp-1220080 | -7.716994 | -1.853579 | 2.815859 | generated | mp-1220080 | Ni3Ge4 | 7 | 8 | 103.18 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6326212883,
0.9312752485,
0.5733956695
],
[
0.9312317967,
3.6211047173,
0.5443789363
],
[
0.5734350085,
0.544... |
gen-mp-862614 | -8.312816 | -6.62087 | 7.040698 | generated | mp-862614 | Tm4Li1Ru1 | 6 | 8 | 147.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6847958565,
1.2235509157,
0.9220568538
],
[
1.2235310078,
4.6587071419,
0.89955616
],
[
0.9220846295,
0.89955... |
gen-mp-1094116 | -6.31521 | -4.060061 | 6.135386 | generated | mp-1094116 | Pa1Mg2Al9 | 12 | 5 | 213.32 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.165333271,
1.3245685101,
0.9376213551
],
[
1.3245961666,
5.1723842621,
0.9374447465
],
[
0.9375866652,
0.9374... |
gen-mp-998421 | 1.322803 | 2.154959 | -5.057453 | generated | mp-998421 | Cl6Np2 | 8 | 1 | 419.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.2032871246,
0.397875458,
-0.2088086903
],
[
0.3978530765,
7.4501333237,
-1.9867048264
],
[
-0.2087397426,
-1.... |
gen-mp-560699 | 11.60592 | 9.021034 | 2.815857 | generated | mp-560699 | Pb1O2Pu1 | 4 | 8 | 82.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4866805077,
0.886960268,
0.5374336839
],
[
0.8869795799,
3.5035588741,
0.5869295001
],
[
0.5374286175,
0.5869... |
gen-mp-632326 | 3.407999 | 0.711791 | -3.377941 | generated | mp-632326 | H2Cl1 | 3 | 1 | 74.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3278398514,
-1.2486883402,
-1.1953634024
],
[
-1.2487505674,
4.4566059113,
-0.1825125217
],
[
-1.1954004765,
... |
gen-mp-1206689 | -4.479849 | -5.794916 | 0.614534 | generated | mp-1206689 | Ni1Cs2As1 | 4 | 8 | 151.11 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2475805283,
-0.1242176518,
-0.9234983325
],
[
-0.1242048666,
6.3692445755,
-1.7184833288
],
[
-0.9234751463,
... |
gen-mp-1245640 | -0.091781 | 1.394036 | -4.257218 | generated | mp-1245640 | Br2Pb1 | 3 | 1 | 105.43 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5400509834,
-1.2682322264,
0.0660451651
],
[
-1.2682332993,
4.3338470459,
0.6008095145
],
[
0.0660671741,
0.6... |
gen-mp-1080793 | -5.613464 | -3.521139 | 0.556915 | generated | mp-1080793 | Pu11Te5 | 16 | 1 | 406.06 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7703213692,
1.0027980804,
0.3372064233
],
[
1.0027239323,
5.478099823,
1.1557658911
],
[
0.3372063041,
1.1557... |
gen-mp-30314 | 1.561882 | 2.706494 | -5.842986 | generated | mp-30314 | Cs2Cl5Pd1 | 8 | 8 | 284.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.0373368263,
-0.0898505151,
-2.0541954041
],
[
-0.0898501575,
7.0234937668,
-2.0544309616
],
[
-2.0541956425,
... |
gen-mp-1207382 | -4.793617 | -4.077176 | 5.717464 | generated | mp-1207382 | Si3Pa1 | 4 | 1 | 71.43 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8390190601,
-0.1014159694,
-0.8585432768
],
[
-0.1014401913,
3.8595490456,
-0.8484032154
],
[
-0.8585020304,
... |
gen-mp-30807 | -5.378784 | -6.277596 | 3.075517 | generated | mp-30807 | Ni4Th2In1Mg1 | 8 | 8 | 201.2 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.492816925,
-1.2101767063,
0.0036648053
],
[
-1.2102152109,
4.4597434998,
0.007927062
],
[
0.0036552295,
0.007... |
gen-mp-610517 | -3.951408 | -1.229201 | -5.63015 | generated | mp-610517 | Ag2S2 | 4 | 1 | 81.55 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.023352623,
-0.7003189921,
-0.6227049828
],
[
-0.7003033757,
4.0715875626,
-0.7115433812
],
[
-0.6226844192,
-... |
gen-mp-9178 | 8.83437 | 6.543969 | -3.582172 | generated | mp-9178 | Se2O2 | 4 | 1 | 69.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0459456444,
-0.7026601434,
0.0174773969
],
[
-0.7026638389,
3.7946438789,
-0.2765194774
],
[
0.0175352134,
-0... |
gen-mp-978256 | -6.500093 | -9.430367 | 3.743869 | generated | mp-978256 | Tl4Mg9Pb2 | 15 | 8 | 405.51 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8961338997,
-1.2856593132,
0.0296207573
],
[
-1.2857000828,
4.8465075493,
0.0319829024
],
[
0.0295881126,
0.0... |
gen-mp-642477 | -5.411807 | -3.838934 | 3.788017 | generated | mp-642477 | U9Tc1Ge1Si1 | 12 | 1 | 245.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3534488678,
-0.7545415163,
0.1645087302
],
[
-0.754537344,
5.4270000458,
0.5868794918
],
[
0.1645362526,
0.58... |
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