mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1210532
-8.226406
-6.258798
6.033193
other
Lu10Bi2Pd4
16
140
388.48
mp-558281
8.965069
1.583839
1.412298
other
Sr2Cr2F8
12
140
175.93
mp-1212846
-4.776325
-3.669627
-3.562392
other
Ga4Bi4Se4
12
140
515.76
mp-1213249
-7.913507
-6.238925
5.935261
other
Er10Ni4Bi2
16
140
382.42
mp-1210524
-8.472936
-5.948133
6.007939
other
Lu10Sb2Pt4
16
140
378.93
mp-1212462
-5.609764
-3.514595
3.279133
other
Hf10Mn2Sb4
16
140
329.81
mp-1207394
-5.390851
-3.505702
2.987343
other
Zr10Cd2Sb4
16
140
357.39
mp-20408
-6.074237
-3.434932
-2.245893
other
In2Ga2Te4
8
140
250.46
mp-1211934
-7.698626
0.234704
5.735074
other
La12Al2Fe26
40
140
776.17
mp-1214009
-6.048876
-6.876512
3.220426
other
Ca8Mg2Sn6
16
140
463.08
mp-1213207
-7.94029
-6.127355
5.93388
other
Er10Ni4Sb2
16
140
372.77
mp-1181498
-8.220683
-6.517399
6.29533
other
Dy10Sb2Au4
16
140
419.35
mp-1207790
-7.449399
-6.202716
6.56656
other
Y24Al14Si2
40
140
1,046.99
mp-1211378
-6.671752
-0.068612
4.331844
other
La2Fe16Si10
28
140
359.6
mp-1213219
-8.268915
-6.268646
6.095974
other
Er10In2Ni4
16
140
384.57
mp-30237
7.124817
3.275073
-4.665788
other
Ba2C8O8
18
140
262.05
mp-1189261
-5.514063
0.069021
3.154099
other
Cr10B4P2
16
140
158.65
mp-1208727
-6.267234
-6.681676
2.666633
other
Sr6Sn8Bi2
16
140
520.98
mp-1199591
-7.659958
0.310504
5.549603
other
Pr12Fe26As2
40
140
744.14
mp-10126
-5.582582
-0.263313
3.30322
other
V10Si2B4
16
140
177.62
mp-1196549
-7.700093
0.241005
5.714808
other
La12Fe26Pb2
40
140
781.35
mp-1097043
10.332047
2.024758
2.287114
other
Li2Fe2F6
10
140
124.86
mp-1205588
-5.876954
-0.018744
3.309527
other
Mn6Ge2N2
10
140
111.64
mp-1400147
9.400904
1.521298
1.472223
other
Ca2Fe2F8
12
140
163.28
mp-1203758
-8.640091
-0.475221
4.958117
other
La12In2Co26
40
140
755.31
mp-1208428
-7.72003
-6.346155
6.151296
other
Tb10Ni4Bi2
16
140
405.15
mp-979932
10.823025
7.787536
1.381226
other
Sr6Si2O10
18
140
263.51
mp-23550
8.224174
2.111678
-1.051264
other
K2Br2F8
12
140
208.36
mp-1246713
1.81618
2.045403
1.340283
other
Sr2Zn4N4
10
140
164.58
mp-1208261
-5.305298
-2.704657
2.857506
other
Ti10Mn2Sb4
16
140
283.56
mp-1238811
-0.176258
1.369151
-4.461039
other
Cs2Pb4Br10
16
140
567.98
mp-555359
9.457459
0.998161
1.541578
original
K2Mn2F6
10
140
145.32
mp-9668
-3.117086
-1.710761
-5.454183
other
Ba6Ti2S10
18
140
507.6
mp-1199127
-8.599528
-0.5626
4.964306
other
La12Co26Sn2
40
140
747.63
mp-1188090
-6.393392
-6.823301
3.153225
other
Eu10Sn6H2
18
140
542.07
mp-1207753
-7.876791
-6.375086
6.059314
other
Y10Bi2Pd4
16
140
421.8
mp-12622
8.467414
1.258452
0.529442
other
Sr2Pd2F8
12
140
181.36
mp-1096988
-0.271363
1.304295
-4.215279
other
Ga2Cu2Br6
10
140
281.48
mp-669347
9.130395
0.427032
0.59747
other
K2Cu2F6
10
140
132.25
mp-1212467
-7.524951
-6.040262
6.605236
other
Ho24Al14Si2
40
140
1,023.94
mp-631194
-7.504073
-5.692738
5.671553
other
La6Ga8Cl2
16
140
382.86
mp-4651
9.588649
10.996527
3.366082
other
Sr2Ti2O6
10
140
119.63
mp-643702
3.137471
-0.635911
-2.519751
other
Cs6Zn2H10
18
140
415.37
mp-1196232
-7.775221
0.298281
5.635452
other
Nd12Fe26Pb2
40
140
769.87
mp-1198430
-7.715446
0.217022
5.699492
other
La12Fe26Sn2
40
140
798.74
mp-11142
-8.353434
-4.346583
4.424279
other
Sr2Cu18Si8
28
140
386.55
mp-29764
8.798214
1.20471
0.466574
other
Rb2H2F4
8
140
122.13
mp-17319
-7.337251
-0.664997
4.208479
other
Nd2Co18Si8
28
140
342.09
mp-1188272
-5.770337
-7.019309
2.889866
other
Sr10Pb6F2
18
140
609
mp-1212882
-7.960674
-6.390385
6.104823
other
Dy10Bi2Pd4
16
140
415.34
mp-643270
3.279848
-0.565717
-2.492219
other
K6Zn2H10
18
140
309.82
mp-1201588
-7.821134
0.312025
5.696086
other
Nd12Fe26Hg2
40
140
752.02
mp-11143
-8.270667
-4.347112
4.426316
other
Ba2Cu18Si8
28
140
396.47
mp-1209154
-7.481632
-6.377892
6.724939
other
Sm24Al14Si2
40
140
1,107.71
mp-1198021
-7.769643
0.311532
5.713225
other
Pr12Fe26Hg2
40
140
758.74
mp-1247460
1.118119
2.117168
1.386447
other
Ba2Ni4N4
10
140
167.61
mp-5932
-7.737998
0.278368
5.655549
other
Nd12Fe26Si2
40
140
740.29
mp-1189804
-4.49676
-3.169874
-3.998933
other
Tl8Pb2Se6
16
140
478.28
mp-754370
10.023874
8.259472
1.513519
other
Ba6Ge2O10
18
140
316.32
mp-3682
9.132974
0.359603
0.588986
other
K2Cu2F6
10
140
135.1
mp-1105814
-4.530593
-3.082991
-4.092654
other
Tl8Sn2Se6
16
140
467.63
mp-1189475
-5.99837
-1.126315
3.993373
other
Ti2V8Si6
16
140
214.61
mp-1095059
-4.622229
-2.702535
-3.991582
other
In2Ga2Se4
8
140
212.93
mp-1213130
-7.553515
-6.210586
6.63964
other
Dy24Al14Si2
40
140
1,038.46
mp-7386
8.514366
1.033458
-0.373255
other
Na2Ag2F8
12
140
155.42
mp-1189789
-5.55669
-2.424386
3.403748
other
Nb10Ge4B2
16
140
258.09
mp-1189588
-6.294517
-7.042088
3.848843
other
Eu10Cd2Cu4
16
140
491.27
mp-997100
6.880641
9.603567
-0.344192
other
Sr2Ag2O4
8
140
124.1
mp-569691
-8.973265
-4.946687
3.192439
other
Yb2Cu18Sn8
28
140
462.56
mp-569477
-7.130723
-5.935467
5.923759
other
La20Al10Br8
38
140
1,143.44
mp-568517
-4.532025
-2.956958
-4.049965
other
Tl2In2Se4
8
140
235.4
mp-1210048
-8.927232
-4.983067
3.281318
other
Pr2Cu18Sn8
28
140
491.85
mp-31462
-8.326987
-6.096885
5.759016
other
Er10Bi2Pt4
16
140
404.35
mp-14866
8.893443
0.582608
1.481132
other
Cs10Al10F40
60
140
978.86
mp-1019544
9.708922
9.609358
3.859152
other
Ba2Zr2O6
10
140
149.38
mp-1207970
-8.280579
-6.242785
6.183299
other
Tm10Bi2Pt4
16
140
398.28
mp-1198585
-7.782564
0.399177
5.657393
other
Sm12Fe26Pb2
40
140
751.63
mp-643706
3.210171
-0.633317
-2.471524
other
Cs6Mn2H10
18
140
436.93
mp-556045
8.842833
0.61253
0.353913
other
K2Cu2F6
10
140
194.38
mp-1186507
-8.111355
-1.87868
2.67562
other
Pr2Ni18Ge8
28
140
373.31
mp-568056
-7.355247
-0.623123
4.259354
other
La2Co18Si8
28
140
345.97
mp-1006277
-8.226886
-0.715737
4.414617
other
Ce2Ga8Co18
28
140
369.5
mp-1245963
0.378987
2.367276
1.757386
other
Ba2Fe4N4
10
140
174.7
mp-31108
-8.359809
-6.13017
6.151234
other
Pr24In2Pt14
40
140
1,086.11
mp-1019729
9.753493
8.847352
2.450361
other
Eu6Al2O10
18
140
250.24
mp-1208016
-7.833745
-6.381349
6.167816
other
Tm10Ni4Bi2
16
140
378.44
mp-1212195
-8.367817
-6.02592
5.973227
other
Ho10Sb2Pt4
16
140
400.49
mp-1207770
-8.208036
-6.402199
6.218353
other
Y10Bi2Pt4
16
140
420.78
mp-1194233
-8.146429
-1.900615
2.71101
other
La2Ni18Ge8
28
140
376.94
mp-1402637
9.550725
0.507408
0.221512
other
Mg2Ni2F8
12
140
128.67
mp-1193469
-7.352578
-0.658934
4.244832
other
Ce2Co18Si8
28
140
342.54
mp-731813
0.323875
1.846622
-4.100194
other
Pb4Br10N2
16
140
520.46
mp-1207901
-5.459725
-3.006438
4.679222
other
U8Si6Mo2
16
140
301.38
mp-1212864
-7.978377
-6.301746
6.064534
other
Dy10Sb2Pd4
16
140
405.95
mp-7765
10.257987
8.022505
1.596515
other
Ba6Si2O10
18
140
304.93
mp-1214394
-7.605721
-5.822432
4.870277
other
Ce6In8Ge2
16
140
437.84
mp-13997
8.973873
0.642808
1.423975
other
Rb10Al10F40
60
140
841.33
mp-1208204
-5.090097
-2.684504
2.865045
other
Ti10Si2Sb4
16
140
276.78
mp-1079111
10.191251
10.805512
3.250367
other
Eu2Ti2O6
10
140
118.31
mp-10500
-7.948773
-6.287294
6.145435
other
Ho10Ni4Sb2
16
140
378.23