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-1225055 | -7.351254 | -3.145278 | 4.636301 | generated | mp-1225055 | U4Co5 | 9 | 8 | 161.12 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0225353241,
1.1900237799,
1.0358021259
],
[
1.1900556087,
6.0710983276,
1.4846915007
],
[
1.0358583927,
1.484... |
gen-mp-1176494 | 13.026568 | 10.541394 | 0.203757 | generated | mp-1176494 | O2V2 | 4 | 4 | 45.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2753741741,
-0.192044124,
0.0238860901
],
[
-0.1920573264,
3.2680463791,
-0.0047967066
],
[
0.0239276327,
-0.... |
gen-mp-1094140 | -7.015749 | -1.55408 | 4.683092 | generated | mp-1094140 | Mn4Ge11 | 15 | 156 | 248.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9632163048,
-1.0735590458,
0.0063383509
],
[
-1.073589921,
3.9708585739,
-0.0048537091
],
[
0.0063101468,
-0.... |
gen-mp-862663 | -7.958877 | -6.668458 | 3.166054 | generated | mp-862663 | La1Pb3Gd1Au3Th1 | 9 | 6 | 278.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6377425194,
0.0168439914,
0.0033303632
],
[
0.0168317929,
8.0143709183,
-2.1708965302
],
[
0.0033105381,
-2.1... |
gen-mp-1554 | -5.950241 | -3.619919 | -1.966936 | generated | mp-1554 | Te2K2 | 4 | 6 | 150.12 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1486349106,
-1.2621023655,
-0.006122672
],
[
-1.2621068954,
4.2492351532,
-0.0022627623
],
[
-0.0061178729,
-... |
gen-mp-610469 | 9.407751 | 5.876318 | 2.043766 | generated | mp-610469 | Ce1S3O2U2 | 8 | 8 | 182.32 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1883826256,
-0.0379220508,
-0.5899439454
],
[
-0.037842568,
4.1534872055,
-0.5879569054
],
[
-0.5899728537,
-... |
gen-mp-1104431 | -6.466475 | 1.047366 | -4.081592 | generated | mp-1104431 | Se6Mo6 | 12 | 1 | 223.04 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4023091793,
-0.5781200528,
-0.0347765125
],
[
-0.5780730844,
6.9631242752,
-0.5660184622
],
[
-0.0347737186,
... |
gen-mp-569066 | -1.284421 | 3.15601 | -3.017796 | generated | mp-569066 | I12Cs4 | 16 | 1 | 842.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.2706537247,
0.0229596216,
-0.0099238334
],
[
0.0230236668,
10.6944236755,
-0.0360334702
],
[
-0.0098985676,
-... |
gen-mp-1217570 | -9.176867 | -2.065323 | 2.730893 | generated | mp-1217570 | Ac1Ni2Cu1 | 4 | 8 | 65.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8687031269,
0.9589304328,
0.8602716327
],
[
0.9589532018,
3.8626234531,
0.8408911824
],
[
0.8603284359,
0.840... |
gen-mp-1184968 | -7.14991 | -5.260995 | 4.959348 | generated | mp-1184968 | Li2Tc1Pa1 | 4 | 160 | 69.19 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3529353142,
1.1064729691,
1.0850389004
],
[
1.1064679623,
4.3492679596,
1.0942435265
],
[
1.0850566626,
1.094... |
gen-mp-1185518 | -4.863033 | -4.871945 | 4.177142 | generated | mp-1185518 | Np4 | 4 | 8 | 86.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.207660675,
1.0018291473,
0.9014194608
],
[
1.0018341541,
4.2242298126,
0.9025009274
],
[
0.9014232159,
0.9025... |
gen-mp-1223962 | -2.696616 | -3.07874 | -5.060839 | generated | mp-1223962 | Mg2S7Ho5 | 14 | 8 | 321.85 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7697360516,
-0.9833925962,
0.0371447466
],
[
-0.9834128618,
3.7312164307,
0.000446601
],
[
0.0372264758,
0.00... |
gen-mp-8200 | -3.407776 | -3.638424 | 0.432324 | generated | mp-8200 | P8Ag2 | 10 | 8 | 177.39 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3714704514,
-0.8937246203,
0.005317356
],
[
-0.8936863542,
3.370796442,
-0.0034569774
],
[
0.0052994522,
-0.0... |
gen-mp-757058 | 10.10933 | 0.677775 | -0.214469 | generated | mp-757058 | F8Mn2 | 10 | 1 | 130.1 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3825912476,
1.0335580111,
0.9649572968
],
[
1.0335799456,
5.1188220978,
1.9401736259
],
[
0.9648758173,
1.940... |
gen-mp-1215175 | -5.994452 | -1.042346 | 3.90385 | generated | mp-1215175 | W5Ti1 | 6 | 160 | 108.28 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0455746651,
1.224725008,
1.269888401
],
[
1.2247185707,
5.0341739655,
1.2617812157
],
[
1.2698794603,
1.26175... |
gen-mp-861639 | -6.659786 | -2.359431 | 4.201509 | generated | mp-861639 | Tc3Ti9U1Ir3V1Co2 | 19 | 1 | 302.85 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.0774402618,
-0.7939093113,
-0.6752281189
],
[
-0.7938879728,
6.876127243,
-1.0545020103
],
[
-0.6752339602,
-... |
gen-mp-752779 | 8.93187 | 2.920225 | 1.089778 | generated | mp-752779 | Tc2N1F3V1Li1 | 8 | 1 | 125.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8929319382,
1.5906893015,
1.5344803333
],
[
1.5906738043,
5.520450592,
0.1381830126
],
[
1.5343974829,
0.1381... |
gen-mp-966740 | -5.569538 | -6.995248 | 1.506771 | generated | mp-966740 | Tl4Cs1 | 5 | 8 | 202.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.4161505699,
-0.1226363257,
-1.2147494555
],
[
-0.1226688996,
5.4119544029,
-1.2134460211
],
[
-1.2146784067,
... |
gen-mp-755674 | 11.795563 | 9.512239 | 1.448543 | generated | mp-755674 | O8U2Li1Te1W1 | 13 | 6 | 193 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8713598251,
0.0076002954,
0.048082117
],
[
0.0076128244,
7.09329319,
-0.9511358738
],
[
0.0481042638,
-0.9511... |
gen-mp-973685 | -7.05411 | -6.87871 | 7.101388 | generated | mp-973685 | Ho12Pm1Ac1Th2 | 16 | 1 | 551.81 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.4007725716,
-0.0029733346,
-0.0052409251
],
[
-0.002962372,
7.4686441422,
0.0126907425
],
[
-0.0051706489,
0.... |
gen-mp-30732 | -7.65355 | -7.081626 | 5.241221 | generated | mp-30732 | Tl9Ho7Pd4 | 20 | 6 | 501.45 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.565762043,
0.0101987524,
-0.0025161444
],
[
0.0102070831,
10.4777288437,
-0.0175212845
],
[
-0.0025992226,
-0... |
gen-mp-1101897 | -2.914612 | -3.720277 | -3.591577 | generated | mp-1101897 | Gd2S2 | 4 | 8 | 88.4 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7720861435,
0.9699544907,
0.6691865921
],
[
0.9699252844,
3.7853300571,
0.6621775031
],
[
0.6691498756,
0.662... |
gen-mp-1223945 | -8.583971 | -5.707068 | 2.01533 | generated | mp-1223945 | Au4 | 4 | 5 | 73.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2011203766,
-0.0183123481,
-0.0109331738
],
[
-0.018465966,
4.1866312027,
-0.0101239532
],
[
-0.0109645687,
-... |
gen-mp-1077741 | -9.447186 | -4.766101 | 4.161032 | generated | mp-1077741 | Yb2Cu6 | 8 | 1 | 126.79 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2388253212,
0.0086282101,
-0.0013732804
],
[
0.0086868592,
5.6754078865,
-1.5214556456
],
[
-0.0012993917,
-1... |
gen-mp-865120 | -5.672096 | -5.516576 | 5.288461 | generated | mp-865120 | Pa19Mg1 | 20 | 1 | 490.19 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.8816514015,
-0.3654292524,
0.4438338578
],
[
-0.3654482067,
6.6249289513,
-0.9201268554
],
[
0.4438387454,
-0... |
gen-mp-1187298 | -5.489576 | -7.880262 | 4.163983 | generated | mp-1187298 | Sr2Ac2 | 4 | 1 | 209.17 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8660850525,
-0.0110063097,
-0.0090824105
],
[
-0.0111700622,
5.9504184723,
0.0081892246
],
[
-0.0091022709,
0... |
gen-mp-30435 | -6.827184 | -6.967449 | 3.253077 | generated | mp-30435 | Ba1Zn3 | 4 | 160 | 101.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9265165329,
1.2255368233,
1.196267724
],
[
1.2254905701,
4.9241847992,
1.2065917253
],
[
1.1961570978,
1.2065... |
gen-mp-4893 | -4.279342 | -1.62537 | 3.153333 | generated | mp-4893 | Hf8Sn5Pu1Ce1C5 | 20 | 8 | 390.48 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3639523983,
0.9190452099,
0.1365934312
],
[
0.9190547466,
3.3581995964,
0.1519528776
],
[
0.1366617084,
0.151... |
gen-mp-1217334 | -5.009647 | 1.197117 | -4.244521 | generated | mp-1217334 | S7Mo3 | 10 | 8 | 286.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0627617836,
-0.8131055236,
0.0109676318
],
[
-0.8131055832,
3.0469484329,
-0.0051847519
],
[
0.0108627537,
-0... |
gen-mp-972908 | -6.710732 | -7.131878 | 6.004219 | generated | mp-972908 | La9Ac7Zn1Tl2 | 19 | 1 | 732.15 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.912197113,
-2.1350991726,
-1.6508800983
],
[
-2.1351008415,
9.2206954956,
-1.4209315777
],
[
-1.6509027481,
-... |
gen-mp-754402 | 12.239827 | 10.356144 | 1.156212 | generated | mp-754402 | Li3O5U1V1 | 10 | 8 | 114.75 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4684505463,
-0.8745380044,
0.0062747421
],
[
-0.8745453954,
4.1345267296,
-0.2420114279
],
[
0.006273896,
-0.... |
gen-mp-1188952 | -7.941325 | -4.318924 | 3.539286 | generated | mp-1188952 | Sm4Ge4Pt4 | 12 | 1 | 244.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.452229023,
0.016081797,
-0.0012682674
],
[
0.0161627494,
7.1731157303,
-0.0015552503
],
[
-0.0013320816,
-0.0... |
gen-mp-850187 | 13.17784 | 11.56628 | 0.039368 | generated | mp-850187 | Li2V7O9 | 18 | 8 | 176.89 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1254973412,
-0.9887967706,
-0.0740020424
],
[
-0.9888048768,
5.0890321732,
-0.966249764
],
[
-0.0739871636,
-... |
gen-mp-569118 | -1.190625 | 3.017208 | -2.934134 | generated | mp-569118 | I11Cs6Mn3 | 20 | 1 | 1,033.11 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.2549219131,
0.0518157743,
-0.3732491434
],
[
0.0518945791,
7.8452539444,
1.0560816526
],
[
-0.3732016683,
1.0... |
gen-mp-5165 | -6.449224 | -5.99016 | 5.976958 | generated | mp-5165 | Th11Tm1Ru1Tc2Si1 | 16 | 1 | 470.7 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.0398921967,
-0.1881407648,
-2.1421406269
],
[
-0.1881352812,
8.0498332977,
-2.1351985931
],
[
-2.1422154903,
... |
gen-mp-13694 | 7.888142 | 11.160289 | -0.786826 | generated | mp-13694 | O4Cu5 | 9 | 156 | 115.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1012544632,
-0.8084394932,
-0.0123144798
],
[
-0.808388114,
3.0866484642,
0.0101821665
],
[
-0.0122723449,
0.... |
gen-mp-1247 | -6.597271 | -3.468848 | 0.969697 | generated | mp-1247 | Sb5Pt1Ir3Th2 | 11 | 1 | 278.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7440643311,
-1.2738902569,
0.0034632469
],
[
-1.2739008665,
4.7673387527,
0.004905039
],
[
0.0034189255,
0.00... |
gen-mp-755213 | 7.476369 | 6.90986 | -4.487516 | generated | mp-755213 | Yb2O8C2 | 12 | 1 | 136.02 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3627872467,
-1.5011416674,
-0.8709256649
],
[
-1.501113534,
5.3695607185,
-0.8933992982
],
[
-0.8709397316,
-... |
gen-mp-1225358 | -6.782396 | -0.495334 | 3.960605 | generated | mp-1225358 | U1Ge7Fe10 | 18 | 6 | 243.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.051366806,
0.0046987748,
-0.0146168312
],
[
0.0046993895,
4.8731637001,
0.1363515109
],
[
-0.0145776635,
0.13... |
gen-mp-13459 | -5.456939 | -5.982418 | 0.603841 | generated | mp-13459 | Na2Sb2Cd2 | 6 | 36 | 165.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7599339485,
-1.2738184929,
0.0216902085
],
[
-1.2738573551,
4.7660212517,
-0.0344915949
],
[
0.0216828864,
-0... |
gen-mp-561849 | -2.71855 | -2.843113 | -5.165503 | generated | mp-561849 | Gd3S4 | 7 | 8 | 175.18 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8568661213,
1.0123800039,
0.4445376098
],
[
1.0123298168,
3.848293066,
0.4483726323
],
[
0.4445562363,
0.4484... |
gen-mp-1220982 | 12.44643 | 9.71139 | 1.287538 | generated | mp-1220982 | Ga1O2Si1 | 4 | 156 | 41.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0142862797,
-0.8230955005,
-0.0168033727
],
[
-0.8230725527,
3.0275380611,
0.0042726235
],
[
-0.0168014802,
0... |
gen-mp-8176 | 9.672669 | 8.569648 | 2.269777 | generated | mp-8176 | Ac1Rb1Tl1Pm1O4 | 8 | 8 | 156.62 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6334695816,
-0.9735528827,
-0.0035724784
],
[
-0.9735635519,
3.6406900883,
0.0007757721
],
[
-0.0036028111,
0... |
gen-mp-19830 | 2.25027 | 1.687333 | 1.77704 | generated | mp-19830 | Er4N4 | 8 | 8 | 143.27 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.565687418,
-0.9609357715,
0.0144089535
],
[
-0.9609114528,
3.5573112965,
-0.0038088909
],
[
0.0143849589,
-0.... |
gen-mp-628606 | -1.236616 | 2.686117 | -2.771482 | generated | mp-628606 | Rb1I6Ac1 | 8 | 1 | 294.62 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.4461073875,
-0.0206217039,
0.0025675085
],
[
-0.0206350069,
6.9179673195,
-1.646728754
],
[
0.002547394,
-1.6... |
gen-mp-1208864 | -5.469275 | -5.061917 | 2.678781 | generated | mp-1208864 | Sm2U1Sb3Th4Si1 | 11 | 8 | 354.59 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.522028923,
0.0229690038,
-0.7463076115
],
[
0.0229849648,
8.2857723236,
0.3184202909
],
[
-0.7463346124,
0.31... |
gen-mp-1207606 | 12.474596 | 11.052375 | 0.091863 | generated | mp-1207606 | Fe2O2 | 4 | 1 | 48.23 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1403179169,
-0.652017355,
-0.0201795045
],
[
-0.6520035863,
3.1453962326,
0.0628018752
],
[
-0.0202166457,
0.... |
gen-mp-867282 | -8.811742 | -4.495425 | 5.415401 | generated | mp-867282 | Tb4Rh3Ir2 | 9 | 1 | 179.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3082890511,
-1.2279342413,
-0.1773568094
],
[
-1.2280402184,
5.1331810951,
-1.3257110119
],
[
-0.1773628592,
... |
gen-mp-12355 | 11.233627 | 8.709677 | 2.12955 | generated | mp-12355 | Y1O2Sr1 | 4 | 166 | 64.19 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3618109226,
0.8632566929,
0.6064530015
],
[
0.8632729053,
3.3809905052,
0.6121298075
],
[
0.6064571738,
0.612... |
gen-mp-1112760 | 1.273661 | 2.20175 | -5.725191 | generated | mp-1112760 | Cl7Cs3Er1Lu1 | 12 | 1 | 439.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.271469593,
-0.0434879251,
-0.6405926347
],
[
-0.0434494056,
5.2890224457,
-0.658637464
],
[
-0.6406731009,
-0... |
gen-mp-1189729 | -5.669735 | -4.071838 | -1.528412 | generated | mp-1189729 | Te2Ba1Nd1 | 4 | 8 | 151.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4844465256,
1.1581475735,
0.790276289
],
[
1.1581935883,
4.5001225471,
0.8110278845
],
[
0.790189147,
0.81107... |
gen-mp-568005 | -0.054035 | 0.890767 | -3.819535 | generated | mp-568005 | Lu1Yb6Br9Cs2U1Al1 | 20 | 1 | 814.52 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.7049226761,
0.2230066657,
-0.3203376532
],
[
0.2230312228,
8.3281326294,
0.1509254873
],
[
-0.3203912377,
0.1... |
gen-mp-998152 | 8.539515 | 1.195265 | -0.324716 | generated | mp-998152 | F7Tl2Ag1 | 10 | 1 | 172.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3317470551,
0.0692454651,
-0.0137565993
],
[
0.0692363009,
5.9973688126,
1.4962509871
],
[
-0.0137249371,
1.4... |
gen-mp-21076 | -7.851791 | -1.423204 | 3.616194 | generated | mp-21076 | C1Rh2 | 3 | 225 | 35.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5038962364,
0.8871256709,
0.8755511045
],
[
0.8871043324,
3.5035579205,
0.876437068
],
[
0.8755089641,
0.8764... |
gen-mp-1174173 | 10.827806 | 12.404928 | 0.277014 | generated | mp-1174173 | Mn1O2Li2 | 5 | 8 | 49.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.9500794411,
0.7179059982,
-0.0282976218
],
[
0.7179045081,
3.2963795662,
0.2163815796
],
[
-0.0282551516,
0.2... |
gen-mp-862635 | -8.67958 | -3.156359 | 4.239003 | generated | mp-862635 | Rh3Sc1Th1 | 5 | 1 | 96.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8909366131,
0.8893828392,
0.8912468553
],
[
0.8893043995,
5.2787914276,
0.2217828929
],
[
0.8912962675,
0.221... |
gen-mp-1212739 | 7.326216 | 8.21489 | -3.216584 | generated | mp-1212739 | O8Eu1B2Ga1 | 12 | 1 | 121.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4066495895,
1.124843955,
0.8580781817
],
[
1.1248720884,
4.4285783768,
0.8617009521
],
[
0.8582295775,
0.8616... |
gen-mp-582389 | -6.827166 | -1.127009 | 4.079278 | generated | mp-582389 | Eu2B2Os3Re1 | 8 | 1 | 153.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.7434053421,
-0.1996550262,
-1.5787479877
],
[
-0.1997347921,
5.7896900177,
-1.618909359
],
[
-1.5787951946,
-... |
gen-mp-867353 | -8.815086 | -6.04705 | 2.662606 | generated | mp-867353 | Au3Th2 | 5 | 8 | 128.79 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1986160278,
0.8760552406,
0.8780636787
],
[
0.8761045933,
5.7869377136,
0.9241440892
],
[
0.8780449033,
0.924... |
gen-mp-13089 | -6.218811 | -3.019659 | -2.076138 | generated | mp-13089 | Cu3Te2 | 5 | 1 | 141.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1506900787,
1.0677279234,
0.6642404199
],
[
1.0676577091,
4.1490731239,
0.6583557129
],
[
0.6642683148,
0.658... |
gen-mp-1225840 | -5.161434 | -2.806749 | -4.598258 | generated | mp-1225840 | Cu5Se4Ag3 | 12 | 8 | 210.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1859970093,
1.0968458652,
0.5303168297
],
[
1.0968495607,
4.2114262581,
0.53619802
],
[
0.5301880836,
0.53623... |
gen-mp-1205948 | 8.513042 | 1.186461 | -0.349512 | generated | mp-1205948 | F4Ag2 | 6 | 14 | 93.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6826541424,
0.1990192682,
0.0028351117
],
[
0.1988671422,
5.0506515503,
0.0106694475
],
[
0.0028390158,
0.010... |
gen-mp-1223671 | -4.642788 | -3.023195 | -3.956798 | generated | mp-1223671 | In4Ga2Se4 | 10 | 8 | 255.8 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0620565414,
1.0708277225,
0.4042398632
],
[
1.070848465,
4.0695586205,
0.4018774927
],
[
0.4041720033,
0.4017... |
gen-mp-759380 | 12.127028 | 12.643151 | -0.320226 | generated | mp-759380 | Li2Cr1O4V1 | 8 | 6 | 75.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.9676356316,
0.0274215955,
-0.0002208368
],
[
0.027391227,
2.9823286533,
0.0061378023
],
[
-0.0002989738,
0.00... |
gen-mp-31164 | -7.043565 | -5.483932 | 5.446781 | generated | mp-31164 | Ru2Ce6 | 8 | 8 | 204.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6837604046,
-0.7163103819,
0.0168942902
],
[
-0.7162802219,
5.9526181221,
-0.0038430146
],
[
0.0169878695,
-0... |
gen-mp-1218051 | -4.031921 | -0.663075 | -3.54616 | generated | mp-1218051 | Mo1Ta6S10W1 | 18 | 8 | 328.1 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4279289246,
-0.940997839,
0.0069910167
],
[
-0.9410131574,
3.4908430576,
-0.0138848862
],
[
0.0069936402,
-0.... |
gen-mp-777812 | 9.969769 | 0.889513 | 1.530245 | generated | mp-777812 | Li3F5Mn1 | 9 | 8 | 119.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3432128429,
-0.8888314962,
0.007001569
],
[
-0.8888322115,
3.3430120945,
0.0068922192
],
[
0.0068858061,
0.00... |
gen-mp-1188913 | -3.175223 | -0.904085 | -5.158144 | generated | mp-1188913 | Cs3S7 | 10 | 1 | 340.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5149788857,
1.0859321356,
1.4254837036
],
[
1.0858458281,
6.601954937,
0.7342187762
],
[
1.425450325,
0.73417... |
gen-mp-560923 | 9.305686 | 8.27746 | -0.802064 | generated | mp-560923 | Pb5O6Ag1 | 12 | 8 | 256.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8526735306,
-1.0187263489,
-0.00242949
],
[
-1.0187199116,
3.8445007801,
0.0016578787
],
[
-0.0024206,
0.0016... |
gen-mp-1247459 | 0.951805 | -0.512162 | 2.580323 | generated | mp-1247459 | Sr2N1Cr2 | 5 | 6 | 110.61 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4151136875,
0.0046536387,
-0.0015841341
],
[
0.0047009937,
3.4222507477,
-0.4652635753
],
[
-0.001562315,
-0.... |
gen-mp-5960 | 11.785132 | 8.515926 | 2.041526 | generated | mp-5960 | O5U5 | 10 | 8 | 168.23 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7278821468,
-0.978662014,
0.0155855305
],
[
-0.978664279,
3.734909296,
-0.0055203252
],
[
0.015571231,
-0.005... |
gen-mp-6674 | 9.59561 | 9.291448 | 0.765972 | generated | mp-6674 | Sb2La2O8 | 12 | 1 | 176.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2834625244,
-0.1467010677,
-1.2141766548
],
[
-0.1466700733,
5.2908668518,
-1.2185266018
],
[
-1.2141293287,
... |
gen-mp-1106169 | -5.656061 | -3.772062 | 3.841102 | generated | mp-1106169 | Zr4Ga1U1 | 6 | 1 | 137.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2742094994,
1.0211447477,
1.4337682724
],
[
1.021079421,
5.5428843498,
0.3945861459
],
[
1.4338231087,
0.3945... |
gen-mp-31232 | 12.927145 | 5.844744 | -7.227979 | generated | mp-31232 | In2O8P2 | 12 | 9 | 138.2 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3989505768,
-1.4223692417,
-0.9444313645
],
[
-1.4224122763,
5.4328198433,
-0.9351251721
],
[
-0.9445328712,
... |
gen-mp-567538 | -9.376033 | -4.961994 | 4.287403 | generated | mp-567538 | Cu8Yb4 | 12 | 8 | 198.67 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0441813469,
1.2823760509,
0.9222320914
],
[
1.2824785709,
5.0468549728,
0.9254782796
],
[
0.9222567677,
0.925... |
gen-mp-9632 | 8.458377 | 1.627429 | -0.506951 | generated | mp-9632 | F8Re1Cs1 | 10 | 1 | 182.31 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.064368248,
0.1930068433,
1.4744391441
],
[
0.1930090785,
4.7532529831,
0.1118203327
],
[
1.4744720459,
0.1118... |
gen-mp-1080073 | -6.164133 | -2.660452 | -1.721748 | generated | mp-1080073 | Mn3Te3 | 6 | 8 | 142.05 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0607304573,
1.05583179,
0.6093159318
],
[
1.0558786392,
4.0348863602,
0.6084520221
],
[
0.6093565226,
0.60860... |
gen-mp-12049 | -6.160284 | -5.205461 | 2.092879 | generated | mp-12049 | Nd7Sb5 | 12 | 1 | 401.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.8229398727,
-0.7892071605,
-0.760879457
],
[
-0.7892169356,
7.5699496269,
-2.0798420906
],
[
-0.7611261606,
-... |
gen-mp-20372 | -6.250991 | -6.470856 | 6.178986 | generated | mp-20372 | Ce5Th1Pm2 | 8 | 1 | 266.8 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.9018807411,
-0.0020085399,
-0.0074619334
],
[
-0.0019606438,
6.9697237015,
-1.8634567261
],
[
-0.0074230544,
... |
gen-mp-568519 | -7.955016 | -4.443819 | 4.764074 | generated | mp-568519 | Dy1Tm2Cu3Ge3 | 9 | 8 | 169.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0907902718,
-1.0601820946,
0.0142128952
],
[
-1.0601890087,
4.0728006363,
-0.0163898151
],
[
0.0142240152,
-0... |
gen-mp-865172 | -5.902424 | -1.75074 | 4.351561 | generated | mp-865172 | Tc2U1Pa1 | 4 | 160 | 77.73 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5231256485,
1.1393926144,
1.1299072504
],
[
1.1394261122,
4.5015912056,
1.1036070585
],
[
1.1298774481,
1.103... |
gen-mp-1223873 | 13.532532 | 4.580821 | -1.37084 | generated | mp-1223873 | Ho1O6B2Sc1 | 10 | 1 | 110.15 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6280298233,
1.1815751791,
1.0454256535
],
[
1.1816124916,
4.6463136673,
1.0405840874
],
[
1.0454266071,
1.040... |
gen-mp-1173720 | 8.367829 | 1.336727 | 0.008779 | generated | mp-1173720 | Ho1F4 | 5 | 1 | 71.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3585419655,
-0.8732216358,
-0.8817770481
],
[
-0.873195231,
4.3497776985,
-0.8700987697
],
[
-0.881780386,
-0... |
gen-mp-11464 | -7.301003 | -7.55519 | 2.456084 | generated | mp-11464 | Mg6Hg6 | 12 | 8 | 275.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.66740942,
-1.2504920959,
-0.0047147931
],
[
-1.2505095005,
4.675579071,
0.0141080003
],
[
-0.0047599454,
0.01... |
gen-mp-6635 | 11.239363 | 9.10055 | 2.600778 | generated | mp-6635 | C1Ba2Tc2Pa1O7N1Co1Th2Ca1 | 18 | 1 | 328.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4696378708,
0.0195450298,
0.1623700261
],
[
0.0195554513,
4.7965984344,
-0.5094685555
],
[
0.1622634232,
-0.5... |
gen-mp-8194 | -3.411875 | -4.893764 | 1.166126 | generated | mp-8194 | P3Ba4 | 7 | 5 | 268.23 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7333073616,
1.2456930876,
0.6309399605
],
[
1.2457513809,
4.7247729301,
0.6170697808
],
[
0.6309396029,
0.617... |
gen-mp-12382 | -5.228664 | -4.045211 | 5.750118 | generated | mp-12382 | Th4Si8Er2Pb1Ni2Ir1 | 18 | 156 | 370.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.069630146,
-1.1147783995,
-0.0006164853
],
[
-1.1147814989,
4.1199989319,
0.0098601431
],
[
-0.0007023048,
0.... |
gen-mp-16565 | -5.08613 | -2.780687 | -4.184343 | generated | mp-16565 | Cu3Sn2Se3 | 8 | 156 | 169.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0271449089,
1.0993057489,
-0.0228663683
],
[
1.0993129015,
4.040002346,
0.0006963448
],
[
-0.02287044,
0.0006... |
gen-mp-1030160 | -9.230285 | 1.775434 | -3.190418 | generated | mp-1030160 | Te2Mo2 | 4 | 8 | 197.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2554886341,
-0.8582760096,
-0.0164371803
],
[
-0.8583039641,
3.2352850437,
-0.02266258
],
[
-0.0164213255,
-0... |
gen-mp-1223333 | 10.932477 | 8.967385 | 0.176982 | generated | mp-1223333 | O2Bi2 | 4 | 12 | 71.63 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6504364014,
0.939907074,
0.6893068552
],
[
0.939950943,
3.6504635811,
0.6838124394
],
[
0.6892198324,
0.68379... |
gen-mp-1186759 | -6.13034 | -2.096197 | 3.917944 | generated | mp-1186759 | Ta8Ru1Os3 | 12 | 1 | 210.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1856498718,
-1.37893641,
0.0081035309
],
[
-1.3788540363,
5.1942882538,
0.0045101694
],
[
0.008054167,
0.0045... |
gen-mp-1183197 | -7.686132 | -7.895005 | 3.056947 | generated | mp-1183197 | Ac1Hg2 | 3 | 8 | 90.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.798707962,
0.0062617883,
-0.0106166992
],
[
0.006237112,
5.061870575,
-1.369468689
],
[
-0.0106023923,
-1.369... |
gen-mp-975784 | -6.393728 | -6.736869 | 6.720705 | generated | mp-975784 | Y2Pm2Th3 | 7 | 12 | 254.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5799338818,
0.9588330984,
0.268367976
],
[
0.9588481188,
3.5886890888,
0.2850116193
],
[
0.2683542669,
0.2849... |
gen-mp-697084 | 8.685109 | 6.610388 | -2.146426 | generated | mp-697084 | Pb6O5H5I4 | 20 | 1 | 423.98 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1254172325,
-0.9408891797,
-0.0841075853
],
[
-0.9408842921,
4.2945556641,
-0.1379071921
],
[
-0.0840855688,
... |
gen-mp-975880 | -7.414778 | -7.225286 | 6.839119 | generated | mp-975880 | Sm6Nd1Mg6Pm2Pr1 | 16 | 1 | 495.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.215941906,
0.0229571871,
0.0202911533
],
[
0.0231470577,
8.3239707947,
0.3440247178
],
[
0.0202836581,
0.3440... |
gen-mp-15252 | -4.637898 | -1.270945 | -5.790616 | generated | mp-15252 | Cu2Ge1S3 | 6 | 44 | 109.22 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6896972656,
-0.0939273089,
-0.721149087
],
[
-0.0938615203,
5.0835223198,
-1.2138557434
],
[
-0.7211790085,
-... |
gen-mp-1516403 | 11.618532 | 9.421966 | 1.464825 | generated | mp-1516403 | O7Sm3Sr1W1 | 12 | 1 | 178.15 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.6590585709,
-0.1654026657,
-1.5182135105
],
[
-0.1653717011,
6.2344846725,
-1.329455018
],
[
-1.5181611776,
-... |
gen-mp-1068797 | -8.922756 | -6.297888 | 2.687566 | generated | mp-1068797 | Ge1Au2Nd1 | 4 | 1 | 88.55 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7162952423,
1.1845830679,
1.1799808741
],
[
1.184663415,
4.7192420959,
1.1730736494
],
[
1.1799435616,
1.1730... |
gen-mp-1025523 | -5.065163 | -3.920283 | 5.821003 | generated | mp-1025523 | Fe3U3Si12Ce2 | 20 | 8 | 378.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0361056328,
0.005827656,
-0.310885936
],
[
0.0059137237,
4.1386170387,
-0.3085488677
],
[
-0.3108740747,
-0.3... |
gen-mp-1218459 | 8.40611 | 10.347415 | 2.056139 | generated | mp-1218459 | Sr2O7Co1Sm1Pm1 | 12 | 1 | 178.65 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8604164124,
0.0136357835,
0.0274284873
],
[
0.0135478275,
3.7918159962,
0.0282638818
],
[
0.0273750797,
0.028... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.