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-1095668
-6.127825
-1.128243
2.778947
other
Ta4Fe4As4
12
62
164.36
mp-1196949
8.204846
6.889771
-5.155064
other
Ti4S4O24
32
62
463.91
mp-1202127
-5.950093
-3.09695
4.111389
other
Tb8Nb12Ge16
36
62
683.89
mp-1181443
7.953451
11.819031
1.740156
other
Ho4Mn4O12
20
62
263.69
mp-12480
-6.020074
-3.265055
1.257347
other
Sc4P4Pt4
12
62
190.07
mp-30701
-8.01263
-2.725658
5.523219
other
Sc12Ga24Fe8
44
62
716.19
mp-28413
-5.314164
-5.88386
0.3739
other
Na8Ga12Sb12
32
62
842.02
mp-1212701
-9.495799
-4.664452
3.832108
other
Gd4Cu20Sn4
28
62
435.39
mp-759125
9.686887
1.587857
0.00166
other
Li8V4F28
40
62
501.24
mp-22574
-3.384006
-3.835135
0.510753
other
Hg4P56Pb4
64
62
1,438.34
mp-1102310
-7.306554
-2.056443
4.098147
other
Hf4Co4Ge4
12
62
180.48
mp-1044651
12.893708
10.640078
-0.179591
other
Zn4W12O28
44
62
592.59
mp-646337
-4.118284
-4.298105
-3.777957
other
Tb8Eu4Se16
28
62
771.56
mp-13775
12.276257
6.579373
0.286921
other
Gd8Si8O28
44
62
582.49
mp-1101778
-8.679974
-5.931262
3.827564
other
La4Al4Au4
12
62
275.75
mp-21248
-6.272272
-2.014498
4.530301
other
Nb4Si4Ir4
12
62
178.91
mp-3102
-4.2568
-0.483345
-4.652137
other
Ta4Cu4S12
20
62
397.94
mp-1103746
-7.987771
-4.344397
3.477212
other
Gd4Ge4Pt4
12
62
237.41
mp-1212435
-5.946005
-2.439203
2.04413
other
Hf4Fe4Sb4
12
62
211.76
mp-23517
-1.137964
2.731568
-2.830364
other
Rb4Pb4I12
20
62
886.2
mp-1202614
7.912522
7.426341
-4.664212
other
Cu12S4O32
48
62
598.29
mp-1239195
-5.644811
-0.330881
-5.752223
other
Cr8Cu4S16
28
62
468.07
mp-3719
-3.449772
-1.303797
-5.400181
other
Rb12Nb4S16
32
62
1,050.91
mp-17998
8.562133
11.627444
-0.72925
other
Ca4Rh8O16
28
62
304.45
mp-1204625
-5.979155
-0.512826
1.41303
other
Pr4Co20P12
36
62
452.34
mp-1194386
-3.503579
-1.598864
-5.057742
other
Yb4Sb8S16
28
62
650.31
mp-1199600
-7.897741
-6.390804
6.264225
other
Lu24Te8Au4
36
62
968.72
mp-570609
1.582624
2.409163
-5.34337
other
Tl4Ga4Cl16
24
62
715.41
mp-1194122
-7.776539
-4.31888
3.043498
other
Sm4Sn16Rh8
28
62
607.57
mp-1207909
0.994236
1.436427
2.70977
other
U4Ta4N8
16
62
202.69
mp-1207550
-7.726094
-6.440593
3.639791
other
Yb4Mg4Ag4
12
62
296.16
mp-776167
11.271211
8.813522
2.346841
other
Ce4Al4O12
20
62
218.92
mp-1209500
-0.3116
0.990709
-4.195309
other
Rb8Nd4Br20
32
62
1,117.67
mp-1195718
-3.676616
-1.40739
-5.766167
other
Li16Sn4S16
36
62
709.34
mp-28275
1.210624
2.135901
-5.661355
other
Rb8Pr4Cl20
32
62
975.42
mp-776207
8.121541
10.86675
1.365871
other
Ce4Ni4O12
20
62
233.39
mp-753856
11.897432
11.782617
1.444795
other
Hf4Fe4O12
20
62
235.59
mp-1102076
-7.353576
-6.317677
3.604191
other
Eu4Mg4Pd4
12
62
281.9
mp-1208689
-8.32902
-5.047844
3.506422
other
Sm12Ge12Pd12
36
62
730.7
mp-17786
-5.785815
-3.957078
-1.537347
other
Ba4Sm8Te16
28
62
1,048.68
mp-1207533
7.327957
8.456415
-0.966294
other
Yb4Pr4O12
20
62
303.47
mp-754578
11.078262
8.070225
1.593759
other
Tm4Ga4O12
20
62
221.88
mp-1210429
8.550614
10.834485
-2.66956
other
Na12Cr4O16
32
62
469.44
mp-771163
9.825147
8.464324
3.13433
other
Cs4Y12O20
36
62
634.11
mp-1246490
0.760762
2.448932
1.666468
other
Rb4Fe4N4
12
62
252.25
mp-1102917
-3.408826
-2.712356
-4.49502
other
Eu4As4S4
12
62
281.69
mp-1212191
-6.297969
-2.07933
1.91496
other
Hf4Ni4As4
12
62
178.69
mp-756290
10.900404
8.291507
1.617863
other
Tb4Ga4O12
20
62
228.4
mp-1040930
13.58534
8.990551
-5.044158
other
Mo8P8O36
52
62
757.22
mp-31152
-7.927646
-4.729654
3.502926
other
Ca4Ga4Pt4
12
62
238.47
mp-1212903
-8.673128
-4.485156
5.341944
other
Er4Zn4Rh4
12
62
218.03
mp-1103470
-5.668996
-0.695311
1.915598
other
V4Ni4P4
12
62
139.62
mp-630875
-8.346698
-6.396809
2.689028
other
Ca8In16Au12
36
62
875.36
mp-24747
3.387207
-0.801673
-2.396427
other
Na12H24Rh4
40
62
455.85
mp-1102944
-8.250291
-4.394681
3.9231
other
Tb4Al4Pt4
12
62
235.92
mp-25452
13.332355
8.380875
-7.197366
other
Cr4P4O16
24
62
267.7
mp-1194802
8.818322
10.891806
-4.192871
other
V8Co4O32
44
62
745.14
mp-1188609
7.023621
10.939813
-0.200735
other
Ho4Co4O12
20
62
268.3
mp-1197505
9.952767
0.634042
1.538447
other
Cs4Fe8F24
36
62
555.06
mp-4019
9.911772
11.17222
3.02114
other
Ca4Ti4O12
20
62
224.1
mp-22701
-5.564417
-1.714365
5.370157
other
Sc4Fe4Si4
12
62
176.56
mp-1204590
-7.603566
-1.911044
3.043855
other
Er4Si12Ni20
36
62
469.01
mp-22645
-8.215442
-5.311221
2.973841
other
Pr4Sn4Pd4
12
62
287.11
mp-2878
13.000869
7.0437
-7.152806
other
Li12P4O16
32
62
309.39
mp-1105715
-3.863993
-0.440301
-4.809245
other
Ti4Ge4S12
20
62
434.36
mp-1195792
-6.009204
-0.47431
1.456473
other
Tm4Co20P12
36
62
425.83
mp-7137
9.631406
8.71013
3.198806
other
Li4Tb4O8
16
62
200.09
mp-1246354
1.892871
2.348677
1.000174
other
K4Pb4N4
12
62
310.16
mp-22147
-3.580719
-1.301754
-5.449958
other
Hf4Pb4S12
20
62
482.24
mp-1232247
-3.104013
-2.269977
-5.327174
other
Yb8Mg4S16
28
62
633.9
mp-27426
8.334307
2.140245
-1.084234
other
B16P4F36
56
62
921.19
mp-776593
10.400058
8.536229
3.214808
other
Lu4Sc4O12
20
62
243.07
mp-1378884
5.875287
11.861766
-1.643918
other
Zn4Ni4O12
20
62
192.02
mp-19201
6.445394
12.866583
1.040381
other
Ca4Mn4O12
20
62
218.02
mp-562420
0.149524
2.321337
-4.430568
other
Cs12Cl4O4
20
62
697.21
mp-1180167
5.343441
-0.466335
-3.02018
other
Na4B4H16
24
62
272.94
mp-1190098
-3.377434
-1.635938
-5.354733
other
Ca4Hf4S12
20
62
441.89
mp-1232387
-2.722353
-2.580218
-5.819407
other
Y8Mg4S16
28
62
666.51
mp-1214491
-1.119831
1.849257
-1.78205
other
Ba4I4Br4
12
62
460.34
mp-755991
6.808712
6.101407
-3.299421
other
Ag4Br4O16
24
62
370.86
mp-859127
11.798889
5.158634
-3.771198
other
Ga4H4O8
16
62
158.45
mp-510755
10.234987
8.268067
-5.360487
other
Mn4As4O16
24
62
320.8
mp-1210617
1.385819
2.366031
-5.629595
other
Mg4Tl4Cl12
20
62
491.5
mp-1212594
-5.955957
-3.312046
-2.336723
other
In12Te12Br4
28
62
1,020.84
mp-864686
-2.659486
0.522348
2.519006
other
Nd8Re4C8
20
62
367.06
mp-12027
-4.516872
-2.363562
-3.37203
other
Ta4Tl4Se12
20
62
551.39
mp-1277241
12.331107
-0.511614
0.24169
other
Mn4O4F4
12
62
164.19
mp-23481
-1.202258
3.067841
-3.014516
other
Cs12Cu8I20
40
62
1,743.93
mp-1103471
-2.807163
-3.486238
-4.765219
other
La4As4S4
12
62
288.3
mp-1245500
1.238159
2.350769
0.7934
other
Na4Pd4N4
12
62
206.21
mp-1379411
12.443637
10.402589
0.649668
other
Y4Mo4O12
20
62
245.86
mp-645692
-4.166403
-4.308513
-3.784619
other
Eu4Lu8Se16
28
62
730.9
mp-771160
3.223259
-0.511092
-2.54483
other
Rb8Mg4H16
28
62
769.53
mp-1103503
-8.255469
-5.381248
2.924288
other
Gd4Sn4Pd4
12
62
270.51
mp-1183026
4.280025
2.792766
-3.411802
other
Ag4C8N12
24
62
479.07
mp-1019710
13.935772
4.156996
-2.377071
other
Cs4B20O32
56
62
667.12
mp-1377201
9.784314
8.645643
-0.153397
other
Mg4Bi8O16
28
62
416.67
mp-703673
11.065922
12.289556
-1.569012
other
Yb4V4O12
20
62
217.46
mp-1212735
9.922193
8.35774
3.139482
other
Eu4Dy8O16
28
62
415.01
mp-753160
7.85318
2.607208
0.965097
other
Bi4O4F4
12
62
178.64