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-1223882 | -8.947246 | -1.020521 | 3.050425 | generated | mp-1223882 | Al1Fe2Ni8Ho1 | 12 | 8 | 153.84 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5497441292,
1.1546063423,
0.8007832766
],
[
1.1545476913,
4.5349183083,
0.8101686835
],
[
0.8008497953,
0.810... |
gen-mp-19272 | 7.619277 | 8.93084 | -3.873283 | generated | mp-19272 | Tb1Cr1O6 | 8 | 1 | 117.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2929196358,
0.6181070805,
0.6285603046
],
[
0.6182535291,
5.3420395851,
0.5267630816
],
[
0.6285020709,
0.526... |
gen-mp-10624 | -5.364258 | -4.584276 | 2.58009 | generated | mp-10624 | U10Bi2 | 12 | 1 | 631.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5457277298,
0.0206809267,
-0.0078599527
],
[
0.0206340365,
5.5423169136,
0.0019795632
],
[
-0.0078337844,
0.0... |
gen-mp-1219484 | -6.286761 | -6.899479 | 2.253908 | generated | mp-1219484 | Pb13Th1Sb2 | 16 | 1 | 544.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.6621141434,
-0.9127823114,
-0.9845224619
],
[
-0.912792027,
6.6663508415,
0.9909434915
],
[
-0.9845163822,
0.... |
gen-mp-1019256 | -7.691602 | -7.454751 | 5.433696 | generated | mp-1019256 | Sm6Zn7Tl7 | 20 | 8 | 484.32 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7221655846,
-1.2603336573,
0.0119905071
],
[
-1.2604203224,
4.7135763168,
-0.0176716577
],
[
0.0120009808,
-0... |
gen-mp-1229179 | -5.131594 | -2.799641 | -4.119139 | generated | mp-1229179 | In3Cu2Se5 | 10 | 1 | 280.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.3380408287,
1.1571382284,
1.1044390202
],
[
1.1572062969,
6.7142238617,
1.0808314085
],
[
1.1044585705,
1.080... |
gen-mp-15785 | -2.72791 | -2.609637 | -5.66911 | generated | mp-15785 | K1Dy1S2 | 4 | 8 | 104.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8794350624,
0.9989545941,
0.6386759877
],
[
0.9989228845,
3.8639731407,
0.6720733643
],
[
0.6387098432,
0.671... |
gen-mp-29163 | -5.663573 | -2.954336 | -2.636613 | generated | mp-29163 | Ag3Te3S2 | 8 | 1 | 233.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5092015266,
-0.8300436735,
-0.9203695655
],
[
-0.830082655,
6.5788583755,
-0.8517949581
],
[
-0.9203239679,
-... |
gen-mp-1025379 | -3.537876 | 1.681872 | 2.933486 | generated | mp-1025379 | B10Tb2 | 12 | 6 | 110.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0445179939,
-0.0065506119,
0.0101840077
],
[
-0.0066142287,
4.9247813225,
-0.6616191268
],
[
0.0101691028,
-0... |
gen-mp-1215356 | -5.266597 | -4.320795 | 1.848717 | generated | mp-1215356 | Sb4U2Zr1Si3Th1Zn1 | 12 | 6 | 333.83 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1536850929,
0.0065163639,
-0.0007652389
],
[
0.0064967419,
4.8536872864,
-0.0291232914
],
[
-0.0008111307,
-0... |
gen-mp-21012 | -7.73131 | -2.137356 | 3.854635 | generated | mp-21012 | Rh8Si4 | 12 | 1 | 160.89 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9699141979,
-0.006648411,
-0.0090481052
],
[
-0.0065836525,
5.3937516212,
0.0036911997
],
[
-0.0090204012,
0.... |
gen-mp-13073 | -7.265924 | -4.097145 | 5.194072 | generated | mp-13073 | Pr3Ni3Ge10 | 16 | 1 | 295.55 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1771688461,
-0.0034980383,
-0.4062332213
],
[
-0.0034942403,
4.2396249771,
-0.4642450511
],
[
-0.4062383473,
... |
gen-mp-4322 | -6.808226 | 1.017022 | 3.760403 | generated | mp-4322 | Pr2B4Co4 | 10 | 1 | 138.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6996016502,
0.7470654249,
0.6809629202
],
[
0.7470933199,
5.4487872124,
0.2379432619
],
[
0.680978179,
0.2379... |
gen-mp-31385 | -7.48111 | -6.548476 | 5.874135 | generated | mp-31385 | Er12Sn5Tb1Co1Th1 | 20 | 1 | 726.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.7172913551,
0.0340131149,
-0.0688148066
],
[
0.0339049697,
11.0528106689,
-2.9492108822
],
[
-0.06872309,
-2.... |
gen-mp-22881 | 1.9805 | 2.950759 | -4.68269 | generated | mp-22881 | Cd2Cl6 | 8 | 6 | 206.86 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7803909779,
-0.0246691294,
0.011364175
],
[
-0.0246389955,
7.3121585846,
-0.4988562167
],
[
0.0114225997,
-0.... |
gen-mp-540574 | -1.205294 | 3.040095 | -3.099246 | generated | mp-540574 | Cs2Hg1I4 | 7 | 8 | 357.79 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.010055542,
-0.0995053947,
-1.1611404419
],
[
-0.0994329527,
6.0477895737,
-1.1466966867
],
[
-1.1611591578,
-... |
gen-mp-865982 | -8.740792 | -4.912909 | 3.205404 | generated | mp-865982 | Tm1Pd2 | 3 | 42 | 56.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4656360149,
-0.0697422698,
-0.7323523164
],
[
-0.0697472468,
3.4564988613,
-0.7450243831
],
[
-0.7323858142,
... |
gen-mp-755390 | 11.606398 | 11.345511 | -0.336067 | generated | mp-755390 | Nb1Fe4O7 | 12 | 8 | 154 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2852702141,
-0.8785918355,
-0.024160197
],
[
-0.8785248399,
3.2937159538,
-0.0068188291
],
[
-0.0240868758,
-... |
gen-mp-1080729 | -5.686834 | -1.589839 | 1.688551 | generated | mp-1080729 | U1C1Ru2P2 | 6 | 8 | 95.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9809067249,
-0.0715246126,
-0.8101508617
],
[
-0.0714992732,
3.9681603909,
-0.8072001338
],
[
-0.8101117015,
... |
gen-mp-978953 | -6.612028 | -8.070614 | 4.846964 | generated | mp-978953 | Ac4Tl3 | 7 | 1 | 310.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7601385117,
1.5413662195,
1.0488044024
],
[
1.5412603617,
5.778336525,
1.0513191223
],
[
1.0489453077,
1.0513... |
gen-mp-1103885 | -6.407368 | -0.924203 | 3.915114 | generated | mp-1103885 | Nb2Fe2 | 4 | 8 | 56.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0574879646,
1.0171408653,
1.0253469944
],
[
1.0172333717,
4.057715416,
1.013923049
],
[
1.0253733397,
1.01394... |
gen-mp-31076 | -0.541447 | 1.30328 | -4.246152 | generated | mp-31076 | Br7Te1Tl2 | 10 | 1 | 391.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.5882263184,
-2.1987061501,
-2.2271707058
],
[
-2.1987218857,
7.8891181946,
-0.363876909
],
[
-2.2271482944,
-... |
gen-mp-1184448 | -7.705598 | -7.295863 | 5.752513 | generated | mp-1184448 | Gd4Tl2Hg2 | 8 | 8 | 219.4 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1280479431,
1.3424971104,
0.9308089614
],
[
1.3424795866,
5.125992775,
0.8945098519
],
[
0.9307693839,
0.8944... |
gen-mp-753704 | 9.263777 | 2.785197 | 1.067142 | generated | mp-753704 | F8W2 | 10 | 1 | 149.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5219936371,
-0.8753958344,
-1.444222331
],
[
-0.8754004836,
5.703151226,
-0.9658412337
],
[
-1.4441843033,
-0... |
gen-mp-756784 | -3.600964 | -1.390167 | -5.001542 | generated | mp-756784 | Li2U1Sb2S7 | 12 | 6 | 254.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9047768116,
0.0377743579,
0.0169190839
],
[
0.0378222056,
8.1274404526,
-0.065620698
],
[
0.0169031918,
-0.06... |
gen-mp-1206532 | 9.203047 | 0.867592 | 0.661687 | generated | mp-1206532 | Tl1Ni1F3 | 5 | 8 | 70.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1319155693,
0.0204598233,
-0.0155876921
],
[
0.0205166452,
4.1350831985,
-0.0031705261
],
[
-0.0155354487,
-0... |
gen-mp-1227390 | -6.298864 | -6.900911 | 3.194299 | generated | mp-1227390 | In3Ba1 | 4 | 8 | 140.33 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8358950615,
1.2520210743,
1.0133196115
],
[
1.2520158291,
4.8294477463,
1.0103259087
],
[
1.0133231878,
1.010... |
gen-mp-13135 | -6.741375 | -6.727469 | 3.347394 | generated | mp-13135 | Eu4Zn5Sn3 | 12 | 8 | 300.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5524454117,
-1.2060853243,
0.0216595046
],
[
-1.2060623169,
4.5301175117,
0.000046819
],
[
0.0215531029,
0.00... |
gen-mp-1226836 | -5.244564 | -4.17353 | 0.583113 | generated | mp-1226836 | Ce2As2 | 4 | 1 | 108.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0625653267,
1.0396310091,
0.7175870538
],
[
1.0396652222,
4.0496068001,
0.727101326
],
[
0.7176024914,
0.7271... |
gen-mp-542846 | -2.907942 | -0.801873 | -4.731897 | generated | mp-542846 | As2S4 | 6 | 1 | 189.17 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6492967606,
0.8573005795,
-0.3266876936
],
[
0.8573209643,
5.7841854095,
0.6502876282
],
[
-0.3267478645,
0.6... |
gen-mp-1185099 | -6.913468 | -7.599078 | 1.749929 | generated | mp-1185099 | Hg3K1 | 4 | 8 | 124 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2702560425,
1.3143899441,
1.3242676258
],
[
1.3143911362,
5.2894272804,
1.3104866743
],
[
1.3242456913,
1.310... |
gen-mp-3197 | -8.34664 | -4.585678 | 4.163639 | generated | mp-3197 | Al3Tb1Pd2 | 6 | 1 | 108.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1847176552,
0.0126110725,
-0.0060243169
],
[
0.0126722036,
5.2793388367,
-1.3541474342
],
[
-0.0059206169,
-1... |
gen-mp-756477 | 9.910221 | 9.6007 | -1.742631 | generated | mp-756477 | Li1O3Te1 | 5 | 1 | 78.42 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1606562138,
0.0038301514,
-0.0017505208
],
[
0.00380668,
5.0596132278,
0.7605664134
],
[
-0.0017654486,
0.760... |
gen-mp-1218116 | -5.622285 | -2.397509 | 3.860067 | generated | mp-1218116 | Ta2Al1Ni1 | 4 | 216 | 62.33 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2106990814,
1.0433213711,
1.0577105284
],
[
1.043358326,
4.1779098511,
1.0382522345
],
[
1.0577656031,
1.0381... |
gen-mp-21433 | -4.227967 | -6.700759 | 2.577152 | generated | mp-21433 | Tb5Zn1Pu2U3Ge6 | 17 | 1 | 777.03 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.7157268524,
0.0172266997,
0.0166439191
],
[
0.017320998,
10.5036792755,
-2.8925018311
],
[
0.0164531842,
-2.8... |
gen-mp-20025 | -4.650154 | -1.086058 | -5.505828 | generated | mp-20025 | Mn1Ga1S2 | 4 | 160 | 76.38 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6089377403,
0.9198037982,
0.689335227
],
[
0.9198722839,
3.594285965,
0.6429541707
],
[
0.6893666983,
0.64293... |
gen-mp-759178 | 10.431773 | 11.237782 | -0.07544 | generated | mp-759178 | O4Ni3Zn3 | 10 | 8 | 100.27 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0102837086,
-0.0157583486,
-0.3159255683
],
[
-0.0157174766,
3.0213377476,
-0.3082795143
],
[
-0.3158569336,
... |
gen-mp-861725 | -6.456179 | -7.317398 | 2.384976 | generated | mp-861725 | Tl7Li4Rh1 | 12 | 1 | 243.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.690993309,
-1.2686703205,
-0.0063843392
],
[
-1.2686331272,
4.7174239159,
0.0103004547
],
[
-0.0063783661,
0.... |
gen-mp-569860 | -7.581944 | -6.255691 | 5.762974 | generated | mp-569860 | Ni1Sn1Nd2 | 4 | 8 | 94.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8225712776,
1.1708056927,
1.1993920803
],
[
1.1708106995,
4.8192672729,
1.193108201
],
[
1.1994230747,
1.1930... |
gen-mp-1224430 | -6.289148 | -2.750095 | 4.052152 | generated | mp-1224430 | U2Hf4Tc4V3Pu1 | 14 | 1 | 284.41 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.4185366631,
-0.0055536502,
0.0544050187
],
[
-0.005569628,
6.6380362511,
0.0054012048
],
[
0.0543847457,
0.00... |
gen-mp-862913 | -6.11162 | -1.249422 | 4.135511 | generated | mp-862913 | Tc10Pm2Cd1Hg2Rh1 | 16 | 1 | 281.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.9948983192,
0.013830197,
-0.0160214752
],
[
0.0138157066,
6.8590636253,
0.2990087271
],
[
-0.0158381388,
0.29... |
gen-mp-4692 | -5.112224 | -3.887437 | 5.800392 | generated | mp-4692 | Ni4Si5Dy3 | 12 | 8 | 202.47 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8242621422,
1.0169103146,
0.4059331417
],
[
1.0169537067,
3.8309521675,
0.4114248753
],
[
0.4060121179,
0.411... |
gen-mp-867849 | -7.444034 | -7.443536 | 5.40059 | generated | mp-867849 | Pm4Tl4Cd2 | 10 | 1 | 303.05 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9495763779,
0.0191449169,
0.0097920373
],
[
0.0191628728,
7.8294606209,
-0.0093403514
],
[
0.0097607113,
-0.0... |
gen-mp-1246874 | 2.367882 | 2.05824 | 1.877923 | generated | mp-1246874 | Al4N4 | 8 | 8 | 85.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0208990574,
-0.8135800958,
-0.0197991747
],
[
-0.8136336803,
3.0331075191,
-0.0209790748
],
[
-0.0197947882,
... |
gen-mp-17207 | -3.638779 | -1.687421 | -5.551157 | generated | mp-17207 | S10Tl9Ge1 | 20 | 1 | 558.41 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.579638958,
-1.2565666437,
-2.2168517113
],
[
-1.2565470934,
7.4394888878,
-0.8053043485
],
[
-2.2168517113,
-... |
gen-mp-11800 | -5.48129 | -1.961383 | -2.90318 | generated | mp-11800 | Co6Se4U1 | 11 | 8 | 169.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9883356094,
-0.0208331645,
0.0209727064
],
[
-0.0208398607,
6.7841849327,
-1.8152788877
],
[
0.020832384,
-1.... |
gen-mp-561187 | 13.123258 | 8.716967 | -0.893955 | generated | mp-561187 | Ga1O2B1 | 4 | 156 | 38.19 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.5806698799,
-0.6966776252,
0.0058660661
],
[
-0.6966634393,
2.5719828606,
-0.0102214161
],
[
0.0058561522,
-0... |
gen-mp-1224094 | -1.169871 | 2.950586 | -2.94011 | generated | mp-1224094 | K1I3 | 4 | 8 | 178.84 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7921171188,
0.9174403548,
0.910966754
],
[
0.9174372554,
5.7412362099,
0.950261116
],
[
0.9109576941,
0.95022... |
gen-mp-1225786 | -4.976008 | -3.093563 | -3.906504 | generated | mp-1225786 | Cu2Sn2Se2 | 6 | 8 | 149.39 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1092195511,
-0.0848652795,
-0.807308197
],
[
-0.0848579481,
5.6868247986,
-1.35592556
],
[
-0.8072972894,
-1.... |
gen-mp-1223831 | -3.839792 | -1.222804 | -5.84002 | generated | mp-1223831 | In3S4 | 7 | 1 | 186.4 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.4698576927,
-0.1665073037,
-1.3161505461
],
[
-0.1664572507,
5.474448204,
-1.2901396751
],
[
-1.3162474632,
-... |
gen-mp-754475 | 10.09741 | 5.14265 | 2.457375 | generated | mp-754475 | Tm4O3Se2F1 | 10 | 8 | 161.67 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5807766914,
-0.9774001241,
-0.0246947035
],
[
-0.9773874283,
3.5932788849,
0.0196458213
],
[
-0.0247687101,
0... |
gen-mp-1112980 | -0.286816 | 1.634606 | -4.560789 | generated | mp-1112980 | Bi1Cs2Br3 | 6 | 1 | 268.73 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7784543037,
-0.8130479455,
-1.2143269777
],
[
-0.8130688667,
6.5217676163,
-0.7765156031
],
[
-1.2142828703,
... |
gen-mp-1207159 | 8.105012 | 1.286994 | 1.28067 | generated | mp-1207159 | Cs2Pm1Th1O2F6 | 12 | 1 | 272.42 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.0595903397,
-0.0790243372,
-1.2137912512
],
[
-0.0791501775,
5.985396862,
-1.3192059994
],
[
-1.2139979601,
-... |
gen-mp-1222768 | -5.276387 | -3.04973 | 5.867883 | generated | mp-1222768 | Th1La1Mn2Si4 | 8 | 38 | 156.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3411245346,
0.0041311202,
0.0025993302
],
[
0.0040456825,
4.244697094,
-0.7054338455
],
[
0.0025215708,
-0.70... |
gen-mp-755254 | 0.123802 | 1.64603 | -3.653692 | generated | mp-755254 | Fe3Be1Cl3Li1 | 8 | 156 | 139.13 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6456167698,
-0.9320129752,
0.0113562364
],
[
-0.9319648743,
3.6124043465,
-0.0003731204
],
[
0.0114283934,
-0... |
gen-mp-752748 | 9.777888 | 1.84164 | 2.136392 | generated | mp-752748 | F3O1Mn3 | 7 | 8 | 108.13 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5788412094,
-0.115175359,
-0.6965366602
],
[
-0.1152217761,
5.1628365517,
-1.5218766928
],
[
-0.6964765787,
-... |
gen-mp-756372 | -4.023911 | -7.139198 | 2.269191 | generated | mp-756372 | Rb4Mg4 | 8 | 1 | 478.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.7471661568,
-0.0129060028,
0.0011098027
],
[
-0.0128657343,
6.7323894501,
-0.0199369416
],
[
0.0010971299,
-0... |
gen-mp-1225983 | 1.810401 | 2.779878 | -5.256212 | generated | mp-1225983 | Cl9Cs2Sb1 | 12 | 1 | 420.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.3983836174,
-1.1174703836,
-0.6040799022
],
[
-1.1173957586,
7.212621212,
-1.4958353043
],
[
-0.6041768193,
-... |
gen-mp-1095504 | -7.615042 | -4.289758 | 3.710684 | generated | mp-1095504 | Cu2Hf2Ge2 | 6 | 8 | 94.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9997830391,
-1.0883703232,
-0.0086148903
],
[
-1.0884059668,
4.0001559258,
-0.0090788165
],
[
-0.0085695069,
... |
gen-mp-1222745 | 1.599982 | 2.672822 | -5.260321 | generated | mp-1222745 | Li4Fe1Cl8 | 13 | 1 | 254.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.720492363,
1.5539656878,
1.7308273315
],
[
1.554023385,
6.7290034294,
1.7281914949
],
[
1.7308340073,
1.72826... |
gen-mp-1206882 | -8.072901 | -3.412663 | 2.578954 | generated | mp-1206882 | Th1Pt3 | 4 | 8 | 73.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1964769363,
-0.0050822161,
0.0048112082
],
[
-0.0052079288,
4.197327137,
-0.0186743811
],
[
0.0048182509,
-0.... |
gen-mp-569607 | -7.875825 | -2.738942 | 5.21551 | generated | mp-569607 | Pr1Ge2Ru1 | 4 | 160 | 81.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0116176605,
1.026476264,
0.8417435884
],
[
1.0264180899,
4.025510788,
0.854501605
],
[
0.8417952061,
0.854549... |
gen-mp-1222397 | -2.537287 | -2.807241 | -5.048701 | generated | mp-1222397 | S5U1Ir1Lu3 | 10 | 8 | 229.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0332746506,
-1.1344174147,
0.0135472175
],
[
-1.1344805956,
4.0322852135,
0.0046212766
],
[
0.0134049244,
0.0... |
gen-mp-1224506 | -9.036341 | -1.650792 | 3.130713 | generated | mp-1224506 | Ni10U2 | 12 | 8 | 167.11 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6564321518,
1.2274990082,
0.8512550592
],
[
1.227596283,
4.6654844284,
0.8771016002
],
[
0.8513739109,
0.8770... |
gen-mp-1103948 | -2.279533 | 0.449704 | 2.388508 | generated | mp-1103948 | C5Ho3 | 8 | 6 | 116.73 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4930651188,
-0.0265613012,
0.0169014782
],
[
-0.0264913868,
3.5393104553,
0.008395832
],
[
0.0168663822,
0.00... |
gen-mp-1078355 | -7.439213 | -4.020478 | 3.85311 | generated | mp-1078355 | U2Sc2Sn3Ni2Fe1 | 10 | 6 | 218.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3304133415,
0.0052769878,
-0.0032133565
],
[
0.0052764104,
8.0111036301,
-0.1938466877
],
[
-0.0031643531,
-0... |
gen-mp-864634 | -7.554175 | -7.072007 | 3.264007 | generated | mp-864634 | Cd8Eu2 | 10 | 1 | 250.1 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8538484573,
1.1280329227,
0.8515850306
],
[
1.128054142,
5.9262332916,
0.5128178
],
[
0.8515498638,
0.5127999... |
gen-mp-1105330 | -5.642152 | -3.844341 | 2.855645 | generated | mp-1105330 | Cs3U11S4Cl1 | 19 | 1 | 561.43 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8280382156,
0.0030031065,
-0.0095693059
],
[
0.0029902169,
12.6324253082,
-2.1884868145
],
[
-0.0096064797,
-... |
gen-mp-1520386 | 6.20336 | 10.249129 | 0.514729 | generated | mp-1520386 | Sr2O6Fe1Zr1 | 10 | 6 | 133.42 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0817494392,
-0.0030300757,
-0.0150066689
],
[
-0.003009358,
4.0846123695,
-0.0196610037
],
[
-0.0149543621,
-... |
gen-mp-1102052 | -5.208986 | -3.909217 | -0.164006 | generated | mp-1102052 | Dy8As9S3 | 20 | 99 | 466.59 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8981413841,
-0.0076668835,
0.0217176266
],
[
-0.0077027432,
3.8871438503,
0.0184291229
],
[
0.0217670649,
0.0... |
gen-mp-22250 | -6.999468 | -1.181285 | 4.155602 | generated | mp-22250 | Tc2Ir2 | 4 | 8 | 60.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1552009583,
1.0369323492,
1.0342968702
],
[
1.0369665623,
4.1612830162,
1.0507506132
],
[
1.0343120098,
1.050... |
gen-mp-1104140 | -6.206119 | -1.234691 | 0.98719 | generated | mp-1104140 | Ni2P1 | 3 | 8 | 35.85 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4847064018,
0.863193512,
0.8878120184
],
[
0.8631821871,
3.5037431717,
0.8993397355
],
[
0.887781024,
0.89938... |
gen-mp-1189436 | -8.933796 | -6.672759 | 5.016882 | generated | mp-1189436 | Zn3Pr1 | 4 | 8 | 80.52 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5671339035,
1.1292903423,
1.1643186808
],
[
1.1292470694,
4.5732512474,
1.1276193857
],
[
1.1642377377,
1.127... |
gen-mp-1217866 | -7.300967 | 0.375167 | 4.093626 | generated | mp-1217866 | U1Fe6Mo1 | 8 | 8 | 102.48 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9712057114,
-0.1590149403,
1.3813083172
],
[
-0.1590358168,
4.9879450798,
1.3891553879
],
[
1.3812193871,
1.3... |
gen-mp-2163 | -8.845655 | -4.779089 | 5.718884 | generated | mp-2163 | Ho3Rh3 | 6 | 8 | 122.59 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1635422707,
1.055947423,
1.0478838682
],
[
1.0559782982,
5.1718826294,
1.0632511377
],
[
1.0478785038,
1.0633... |
gen-mp-1190207 | -6.623175 | -0.319681 | 3.498651 | generated | mp-1190207 | Ge1Nb1Fe2 | 4 | 8 | 51.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9460310936,
0.9914309382,
1.0027259588
],
[
0.9914968014,
3.9178116322,
0.9935159087
],
[
1.0027476549,
0.993... |
gen-mp-973553 | -7.939969 | -4.44038 | 5.365841 | generated | mp-973553 | Pm1Al4Cu2 | 7 | 8 | 124.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8222622871,
1.2396422625,
1.2289533615
],
[
1.239579916,
5.393881321,
0.4766554832
],
[
1.2288817167,
0.47661... |
gen-mp-3274 | -8.108289 | -4.187661 | 1.904109 | generated | mp-3274 | Ge1Pd3 | 4 | 8 | 59.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1323604584,
1.0571315289,
1.03436625
],
[
1.057113409,
4.1371273994,
1.0430922508
],
[
1.0344083309,
1.043091... |
gen-mp-1221438 | 7.878239 | 5.484571 | -1.805855 | generated | mp-1221438 | Co5O9Na2S1Tc1 | 18 | 1 | 211.7 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8160762787,
0.3068609238,
0.3976997435
],
[
0.30688411,
8.619474411,
0.2577085495
],
[
0.3977678418,
0.257697... |
gen-mp-1095445 | 10.551488 | 10.604139 | -3.828492 | generated | mp-1095445 | O3Mo1 | 4 | 1 | 63.79 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.69404459,
0.0077479817,
0.009097321
],
[
0.0077239722,
3.7915334702,
-0.0121804383
],
[
0.009124402,
-0.01227... |
gen-mp-571506 | -4.606504 | -4.377984 | 6.256218 | generated | mp-571506 | Si7Al3Tm4Dy1 | 15 | 156 | 295.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0477576256,
-1.0930570364,
-0.001373939
],
[
-1.0930610895,
4.0434689522,
-0.0136273094
],
[
-0.0014015639,
-... |
gen-mp-982388 | -7.864473 | -8.941332 | 6.869732 | generated | mp-982388 | Ho4Tm1Mg5 | 10 | 6 | 276.2 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8547549248,
-0.0113304518,
-0.0034917004
],
[
-0.0113174692,
8.438794136,
0.0121641457
],
[
-0.003449915,
0.0... |
gen-mp-27041 | 14.508263 | 8.03286 | -3.672211 | generated | mp-27041 | Li2Cr1O4P1 | 8 | 5 | 84.64 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4529452324,
-0.1516746432,
-1.1507097483
],
[
-0.1517040879,
4.4322066307,
-1.1570647955
],
[
-1.1508076191,
... |
gen-mp-1039088 | -6.383221 | -6.394787 | 5.602341 | generated | mp-1039088 | Th1Mg3Pa2 | 6 | 1 | 157.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5202217102,
1.4039458036,
1.3146252632
],
[
1.4040300846,
5.54002285,
1.3347755671
],
[
1.3146219254,
1.33483... |
gen-mp-12985 | -4.296089 | 1.282503 | 2.94998 | generated | mp-12985 | Pr1Co3C2B2 | 8 | 99 | 91.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.577341795,
0.0128894672,
0.0093785869
],
[
0.0129072424,
3.5846707821,
0.0020431951
],
[
0.0093530538,
0.0020... |
gen-mp-15567 | -3.719193 | -1.932269 | -5.334437 | generated | mp-15567 | Na2S1 | 3 | 8 | 68.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3375058174,
1.0776985884,
1.0948960781
],
[
1.0776948929,
4.3295359612,
1.0947304964
],
[
1.0949611664,
1.094... |
gen-mp-22563 | -3.691826 | -1.459604 | -5.026499 | generated | mp-22563 | S8Lu2 | 10 | 6 | 260.13 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9983870983,
-0.0216020606,
0.018961573
],
[
-0.0216458775,
3.9940319061,
0.0347561315
],
[
0.0189200677,
0.03... |
gen-mp-2732 | -6.046249 | -1.54193 | 1.347843 | generated | mp-2732 | P2Rh4 | 6 | 6 | 86.37 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9613101482,
0.0009343983,
-0.003027796
],
[
0.0009684735,
3.9289970398,
-0.0005962991
],
[
-0.0030987107,
-0.... |
gen-mp-20152 | -6.528768 | 1.133477 | -4.007105 | generated | mp-20152 | Se2Mo1In1 | 4 | 8 | 90.48 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1912105083,
-0.8620569706,
0.0070180283
],
[
-0.8620949984,
3.2198872566,
-0.0083796633
],
[
0.0070221317,
-0... |
gen-mp-1226510 | -6.685478 | -6.000136 | 5.903231 | generated | mp-1226510 | Th4Al5Pm3Pd1Cu1 | 14 | 8 | 375.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1734104156,
-1.3935512304,
-0.0035851463
],
[
-1.393427968,
5.1830420494,
0.0071329842
],
[
-0.0035907733,
0.... |
gen-mp-1019547 | 12.887997 | 8.852693 | -0.512257 | generated | mp-1019547 | O2Li1P1 | 4 | 160 | 42.33 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0805740356,
0.7832618952,
0.5815233588
],
[
0.7833262682,
3.0563933849,
0.5789424777
],
[
0.581510067,
0.5789... |
gen-mp-1188812 | 6.747273 | 8.494848 | -1.186738 | generated | mp-1188812 | La2O4 | 6 | 1 | 95.5 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9731864929,
0.0273069646,
-0.0847087279
],
[
0.0272619836,
4.2642016411,
-0.0925622657
],
[
-0.0846929178,
-0... |
gen-mp-862972 | -8.472401 | -6.367219 | 3.0867 | generated | mp-862972 | Ac8Au11 | 19 | 1 | 536.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.7182893753,
-0.0151167009,
0.0029076748
],
[
-0.0150458589,
8.9078798294,
-2.3141095638
],
[
0.0029578584,
-2... |
gen-mp-1223176 | -7.201732 | -5.793272 | 3.807306 | generated | mp-1223176 | Ti1La4Sn10 | 15 | 8 | 426.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5415773392,
-0.01666582,
-0.4182231724
],
[
-0.0166656692,
4.5953807831,
-0.4123907387
],
[
-0.4181215763,
-0... |
gen-mp-1223251 | -6.936145 | -7.330143 | 4.178607 | generated | mp-1223251 | La3Tl7Pb1 | 11 | 8 | 362.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9305648804,
-1.3278642893,
-0.0015433652
],
[
-1.3279002905,
4.9078378677,
-0.0092126653
],
[
-0.0015533862,
... |
gen-mp-1224202 | -5.973052 | -3.359251 | -2.156016 | generated | mp-1224202 | Cl1Te7In4 | 12 | 8 | 465.12 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1676497459,
-1.1369700432,
0.0027740141
],
[
-1.1369466782,
4.1916332245,
0.0077295206
],
[
0.0028433027,
0.0... |
gen-mp-1226587 | 12.353896 | 8.61524 | 2.314506 | generated | mp-1226587 | U3O1 | 4 | 8 | 72.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5575273037,
0.9359998107,
0.6389653087
],
[
0.9360197186,
3.5537145138,
0.6282839775
],
[
0.6389872432,
0.628... |
gen-mp-1184170 | -7.921136 | -6.606691 | 6.246101 | generated | mp-1184170 | Dy5In2 | 7 | 1 | 204.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1719560623,
1.3112825155,
0.9690012336
],
[
1.3112629652,
5.166425705,
0.9947620034
],
[
0.9688962102,
0.9947... |
gen-mp-16482 | -8.694492 | -5.97985 | 2.797596 | generated | mp-16482 | Al2Au3Ti1 | 6 | 99 | 100.39 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0586385727,
-0.0155889699,
0.0050770231
],
[
-0.0155788222,
3.0766603947,
-0.0037758327
],
[
0.0050377129,
-0... |
gen-mp-756389 | 11.616259 | 8.589622 | 2.141156 | generated | mp-756389 | O5Lu3U1 | 9 | 6 | 146.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8293993473,
0.0034446931,
0.0167695973
],
[
0.0034109107,
5.9906067848,
-2.0741691589
],
[
0.0168068074,
-2.0... |
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