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-756458
11.060018
8.294805
2.250291
other
Er4Al4O12
20
62
199.39
mp-727063
4.655301
2.820175
-3.536227
other
C32I12N16
60
62
1,676.49
mp-11811
-8.416018
-6.321132
3.041215
other
Ca4Ga4Au4
12
62
254.98
mp-568570
-1.326503
3.07361
-2.984598
other
Cs4Sn4I12
20
62
956.32
mp-1212432
9.729158
9.550141
-1.856222
other
K16Te32O92
140
62
2,203.13
mp-1212419
-6.968313
-4.878038
5.059902
other
Ho8Mg12Ge16
36
62
762.52
mp-1179664
7.967551
6.114529
-3.345969
other
V8Hg8O28
44
62
799.45
mp-1103319
-8.263062
-4.454456
4.007178
other
Dy4Al4Pt4
12
62
233.81
mp-22036
-6.367887
-3.90476
1.347408
other
Zr4Sb4Pd4
12
62
236.86
mp-1176389
6.133783
10.723025
-1.352982
other
Na8Fe4O12
24
62
396.75
mp-1211350
8.429562
1.178715
1.726954
other
K4Th8F36
48
62
739.47
mp-1211903
1.202107
2.002084
-5.518742
other
K8Nd4Cl20
32
62
892.07
mp-1048393
6.870512
13.362956
-1.738712
other
Zn4Co8O16
28
62
278.92
mp-645326
-1.089605
2.251572
-3.001079
other
Al12Bi20I48
80
62
3,590.55
mp-20079
6.044914
8.825543
-1.284717
other
Ca4Pb4O12
20
62
275.27
mp-5504
8.538614
3.645683
-6.900722
other
Ba4C4O12
20
62
308.79
mp-29883
1.332456
2.608565
-5.894153
other
Rb12Pb4Cl20
36
62
1,154.11
mp-1211482
8.766807
1.846914
1.473831
other
K4Pu8F36
48
62
675.95
mp-1211886
-1.169405
2.355779
-2.108671
other
K8Nd4I20
32
62
1,304.46
mp-1214868
8.94588
8.27682
-2.01076
other
Al12O16F8
36
62
369.03
mp-1198196
-5.989431
-1.453557
4.442022
other
Nb12Cr32Si32
76
62
995.06
mp-1209524
1.238787
2.182021
-5.695612
other
Rb8Nd4Cl20
32
62
967.32
mp-20144
-5.520784
-1.21186
2.447102
other
Nb4Cr4P4
12
62
165.03
mp-1199023
-2.708142
-2.619725
-5.555389
other
Dy8Zr4S20
32
62
649.17
mp-1213177
-1.295417
2.198859
-1.928425
other
Cs4Tm4I12
20
62
880.11
mp-505274
10.575309
4.137456
-7.181962
other
Na8S4O16
28
62
339.98
mp-9308
9.316247
1.199023
1.164462
other
Li16Zr4F32
52
62
507.67
mp-28776
-0.276483
0.672417
-4.009418
other
K8U4Br20
32
62
1,051.57
mp-1102866
-5.537021
-3.973624
4.554677
other
Yb4Si4Pt4
12
62
222.16
mp-20676
-7.824997
-3.289971
4.686213
other
Er4Ni4Ge4
12
62
204.71
mp-1208359
-5.06244
-3.846359
5.807992
other
Tb4Si4Ni4
12
62
204.18
mp-669376
8.774448
2.128034
1.782625
other
K4U8F36
48
62
877.24
mp-15642
-3.918705
-5.524774
5.129238
other
Sr4Mg4Si4
12
62
304.14
mp-1232053
-4.08333
-4.184042
-3.500416
other
Ce8Mg4Se16
28
62
811.63
mp-1209272
-1.208161
2.10954
-1.836129
other
Rb4Dy4I12
20
62
860.52
mp-1195913
11.179181
8.195918
-0.61412
other
Ga16Bi8O36
60
62
800.85
mp-1105974
-8.356789
-4.958435
2.990339
other
Pr4Ge4Pd8
16
62
311.32
mp-1190952
-2.755985
-2.871983
-4.418219
other
Tb8P8S8
24
62
482.69
mp-756296
12.123288
9.729063
2.30996
other
Er4Ti4O12
20
62
231.14
mp-20557
-4.938095
-3.862101
5.880727
other
Y4Si4Ni4
12
62
203.61
mp-1095625
-6.278742
-3.87428
0.789106
other
Tm4As4Pd4
12
62
222.99
mp-766971
-4.107615
-0.744699
-5.666861
other
Li16Cr4S16
36
62
673.22
mp-21161
-7.954367
-4.444203
2.983193
other
Sm4Sn4Pt4
12
62
271.67
mp-752429
7.222366
8.718765
-0.781106
other
Sc4Tl4O12
20
62
256.39
mp-16892
8.601564
10.689334
-3.137364
other
Tl8Cr4O16
28
62
501.07
mp-978809
-5.40946
-4.354995
0.384151
other
Sm4As8Au4
16
62
346.19
mp-756281
11.099395
8.193243
2.087978
other
Tm4Al4O12
20
62
197.85
mp-1194113
-2.740411
-2.638768
-5.864595
other
Y8Zn4S16
28
62
672.48
mp-1193583
-2.534866
-2.730649
-5.639062
other
Ba4Ho8S16
28
62
715.72
mp-22722
-5.753933
-3.188168
4.379649
other
Nb4Si4Pd4
12
62
181.86
mp-1190059
-3.445054
-1.693963
-5.107797
other
Eu4Hf4S12
20
62
450.92
mp-8885
-3.274329
-1.808639
-5.46872
other
Ba4Cd4S8
16
62
449.83
mp-1213722
1.223891
2.349858
-5.985672
other
Cs8Ho4Cl20
32
62
1,088.91
mp-1197733
7.004411
6.045894
-4.228274
other
Mg4S8O36
48
62
703.49
mp-1208170
-5.590015
-1.22899
2.41055
other
Ti4V4P4
12
62
161.81
mp-27428
6.84417
6.197186
-3.288614
other
K4Br4O16
24
62
429.39
mp-1213457
-7.169004
-4.538166
5.885743
other
Dy12Ni4Ge8
24
62
528.98
mp-22755
-8.027275
-3.052158
4.688897
other
Tb4Ge4Ir4
12
62
225.03
mp-16253
-4.014042
-5.793497
5.130541
other
Ba4Ca4Si4
12
62
400.11
mp-1211599
-0.18713
0.830523
-3.6793
other
K4Dy4Br12
20
62
682.28
mp-725465
-0.323984
2.632004
-3.671587
other
Rb8I4O4
16
62
581.6
mp-756978
8.136843
8.970283
0.531087
other
Ba12Cl8O8
28
62
891.69
mp-567530
1.496606
2.510015
-5.646838
other
K4Mn4Cl12
20
62
488.39
mp-768237
10.107647
9.163801
3.352097
other
Gd8Hf4O20
32
62
482.51
mp-19249
5.845215
11.32351
-1.357672
other
Yb4Ni4O12
20
62
207
mp-22590
7.62494
11.088309
1.566011
other
La4Fe4O12
20
62
251.94
mp-19232
7.918141
10.048074
-3.74363
other
K8Cr4O16
28
62
462.59
mp-20248
7.282349
8.619126
-1.301267
other
Sr4Yb8O16
28
62
407.08
mp-619661
8.893669
7.496622
-2.015662
other
Pb12I8O8
28
62
832.16
mp-28094
1.070005
1.864818
-5.314107
other
Rb4Dy8Cl28
40
62
1,148.57
mp-1347357
9.624879
8.599115
-0.104909
other
Ca4Bi8O16
28
62
439.35
mp-1195931
-2.966812
-2.313738
-4.540482
other
U8Pb4S20
32
62
703.02
mp-1191252
14.11253
4.926663
-6.740583
other
La4P4O16
24
62
361.42
mp-769263
9.814703
8.447257
2.2192
other
Tb4In4O12
20
62
269.41
mp-863013
8.281607
7.363447
-4.580508
other
U12P8O72
92
62
1,689.07
mp-647812
5.886754
3.413146
-4.690462
other
Cr4C24O24
52
62
775.51
mp-817982
8.026173
7.555823
-4.159599
other
Mn4Se4O16
24
62
365.74
mp-1201526
8.512736
3.541479
-6.563959
other
Ce4C12O24
40
62
531.97
mp-1102633
-5.383062
-3.29256
6.07096
other
Tm4Co4Si4
12
62
190.02
mp-7379
-5.631043
-6.237602
0.827846
other
Tl4Cd4Sb4
12
62
352.96
mp-1197354
-2.925087
-2.69855
-4.232171
other
Zr4U8S20
32
62
675.99
mp-756030
9.984574
8.374408
3.1755
other
Gd4Tm4O12
20
62
282.2
mp-571661
1.193748
2.357732
-5.760616
other
K8Hg4Cl16
28
62
1,018.6
mp-769049
1.103977
1.681877
-5.184779
other
Ba4La4Cl20
28
62
832.37
mp-1176417
10.86077
9.779747
-1.948522
other
Mn4Te4O12
20
62
269.17
mp-731602
6.749141
9.210162
-2.629338
other
Mn4N4O16
24
62
414.76
mp-754858
8.044657
10.432047
-0.352929
other
Rb8Ni8O12
28
62
574.3
mp-1189495
-4.652608
1.432652
3.430503
other
Tb4B8Os4
16
62
200.34
mp-1188414
11.25069
10.632381
0.982277
other
Sr4Tc4O12
20
62
248.56
mp-29483
-0.255914
1.202256
-4.399218
other
Mg4In4Br12
20
62
583.87
mp-30209
5.304288
-0.439946
-2.949307
other
Li4B4H16
24
62
199.62
mp-2879
9.412216
9.367455
1.260217
original
Sr4Sn4O12
20
62
266.22
mp-510409
-6.028035
-1.926246
4.033338
other
Ti4Si4Ni4
12
62
155.6
mp-1105649
-4.974679
1.180121
3.673464
other
Yb4B8Os4
16
62
194.48
mp-18138
-4.908842
-2.417177
-3.632987
other
K8W4Se16
28
62
899.57
mp-5587
-3.122767
-1.882329
-5.456471
other
Ba8Zn4S12
24
62
653.58
mp-1246385
1.313693
2.301331
1.275355
other
K8Mn4N8
20
62
406.72
mp-1232304
-2.694199
-2.583818
-5.843513
other
Ho8Mg4S16
28
62
657.68
mp-771308
9.005352
11.610884
-4.027581
other
V4Co4O16
24
62
268.82
mp-29769
-5.75608
-4.61144
1.977416
other
Sc20Ni8Te8
36
62
757.39