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-555977
9.161477
8.6029
-0.018046
other
Rb16Zn8O16
40
14
842.75
mp-1367554
8.788051
1.731715
0.983491
other
Zn4Sn4F20
28
14
445.05
mp-1212519
6.820392
6.068704
-3.879201
other
Na8W4O48
60
14
1,091.87
mp-562894
7.422713
10.898155
1.595018
other
Nd16Co12O40
68
14
840.9
mp-1202907
8.06464
2.169385
-0.553195
other
Sb12N4F40
56
14
1,019.41
mp-653758
1.932204
2.850825
-4.438688
other
Ru16S32Cl104
152
14
4,829.6
mp-540925
8.416852
1.978732
-0.378445
other
Hg8As4F24
36
14
607.21
mp-31003
6.388216
0.309141
-3.432063
other
B80H104I8
192
14
2,241.42
mp-541678
-4.518198
-5.597227
0.497326
other
Cs24Ga8As16
48
14
1,974.4
mp-1199722
0.675649
3.546535
-5.366255
other
Bi4W24Cl60
88
14
2,452.96
mp-672945
9.657368
7.602849
-5.723083
other
Bi4P8O28
40
14
564.23
mp-30948
7.616761
6.633335
-3.119846
other
Tb4I12O36
52
14
781.14
mp-1210562
4.615525
3.101602
-3.97672
other
Pd8S32N32
72
14
1,811.91
mp-680306
11.061791
7.706434
-0.217663
other
Rb56Si40O68
164
14
3,798.37
mp-753405
9.782903
0.447746
0.025251
other
Li4Cu4F12
20
14
223.78
mp-17586
9.846124
4.783783
-6.618866
other
Cd4S8O28
40
14
556.53
mp-1207386
3.053023
1.431274
2.439937
other
Zr4N4F4
12
14
152.08
mp-1196612
-2.753713
-0.706672
-5.312322
other
Rb16P8S24
48
14
1,528.52
mp-27010
10.090203
8.177998
-6.764046
other
Co6P8O28
42
14
511.83
mp-28179
1.655698
2.511406
-4.650343
other
Na4Ta4Cl24
32
14
857.49
mp-29286
8.531445
1.834046
0.642782
other
Tl4Sb4F16
24
14
414.63
mp-29968
2.078869
2.841348
-4.342672
other
Nb8Se8Cl72
88
14
2,830.9
mp-30137
8.27563
10.628084
1.731357
other
Gd12Re4O32
48
14
617.7
mp-775804
-3.645746
-1.318493
-5.475696
other
Li12Sb4S12
28
14
603.37
mp-571471
-5.826362
-2.044688
-1.261832
other
Nb4Co4Te8
16
14
382.32
mp-5960
10.513741
9.164584
2.316239
original
Ca6U2O12
20
14
281.65
mp-18455
9.743618
0.574067
0.367301
other
Na4Fe4F16
24
14
300.58
mp-861590
10.116712
1.847634
0.684013
other
Li8V4F24
36
14
386.27
mp-1201027
8.641272
3.677586
-7.208239
other
Na48C24O72
144
14
1,697.95
mp-1211758
-0.085366
0.743644
-3.385411
other
K4Nd8Br20
32
14
991.69
mp-1182823
9.182393
4.337993
-4.066113
other
Ba4H72O40
116
14
1,296.21
mp-1195114
11.31691
7.486656
-3.757323
other
K24As24O72
120
14
2,092.85
mp-1104717
8.802252
0.729966
0.307277
original
Na4Ag2F8
14
14
187.31
mp-558724
-2.793775
-2.370956
-5.826433
other
La8Si4S20
32
14
753.38
mp-776332
6.372485
0.431595
-3.45383
other
Na8B40H40
88
14
959.47
mp-774332
8.836708
11.653677
-0.444453
other
Na4Co4O6
14
14
173.49
mp-1192317
8.540368
7.528125
-4.820431
other
Mn2P4O16
22
14
395.05
mp-1176529
10.436821
11.811315
-0.99173
other
Mn6Te2O12
20
14
235.37
mp-30926
14.088879
4.218627
-2.249701
other
La4B20O36
60
14
596.67
mp-613518
8.265669
1.443681
0.866256
other
K8Sb4F20
32
14
628.82
mp-1200746
11.297874
10.437271
1.172541
other
Dy8V4O20
32
14
442.72
mp-30014
8.165538
2.147948
-1.054231
other
As8Kr12F64
84
14
1,497.12
mp-761019
1.686212
1.763336
2.906736
other
Hf8N8O4
20
14
234.08
mp-755943
-1.051066
2.263879
-2.759286
other
Ca4Pb4I16
24
14
1,186.47
mp-26616
13.654648
8.748505
-5.458796
other
Mo4P8O28
40
14
537.8
mp-866495
-3.404756
-1.615775
-5.732708
other
Ca4Sn4S12
20
14
503.22
mp-1200705
1.294322
3.388061
-5.088463
other
W24C4Cl60
88
14
2,209.46
mp-772089
1.10264
1.718096
-5.198614
other
Sr8La8Cl40
56
14
1,627.05
mp-760285
7.726075
10.401591
-3.777114
other
Mn8Cr12O48
68
14
990.31
mp-1214379
7.951602
8.068666
-3.870499
other
Bi8Se4O28
40
14
613.18
mp-729466
6.065344
5.125934
-4.422113
other
Ce2N16O36
54
14
761.23
mp-18317
-3.344892
-4.587315
0.748744
other
Na20Sn4P12
36
14
813.25
mp-541687
-4.737079
-3.042149
-3.900333
other
K12Ga4Se12
28
14
876.96
mp-626464
11.711736
4.81836
-5.035477
other
P4H12O16
32
14
326.65
mp-759901
9.779116
0.420421
-0.172476
other
Li6Cu2F12
20
14
198.06
mp-1180875
6.221251
5.448817
-4.363459
other
Mn2N12O32
46
14
755.07
mp-556346
7.574991
6.579129
-3.035707
other
Pr4I12O36
52
14
804.02
mp-1180349
7.098124
6.246139
-3.265409
other
Mn2I4O8
14
14
282.4
mp-556235
8.644687
3.648464
-7.028435
other
Ca4C4O12
20
14
244.96
mp-1199042
8.9483
7.442954
-5.200229
other
Ca4P8O32
44
14
685.95
mp-642817
10.658988
4.296802
-3.835561
other
K4H4O4
12
14
162.41
mp-28672
-0.66322
1.095565
-4.084179
other
Zr8Te4Br48
60
14
2,430.29
mp-1200068
8.68659
10.603664
1.28682
other
Ba8Ru6O20
34
14
524.3
mp-1208202
6.919581
6.028997
-3.560964
other
Yb4I12O40
56
14
909.02
mp-27588
13.013751
6.173155
-6.616074
other
Be4P8O24
36
14
416.06
mp-1197885
7.602256
5.956534
-4.795835
other
Ca4S4O24
32
14
588.8
mp-1204532
9.213633
10.692255
-3.062612
other
V4Bi8O24
36
14
569.42
mp-1205113
6.325076
5.318059
-4.55309
other
V4N12O40
56
14
722.92
mp-1181366
7.062262
8.272449
-3.348435
other
Fe6P4O24
34
14
407.67
mp-1210775
8.742805
2.005608
2.300614
other
Lu4O4F4
12
14
154.23
mp-778430
9.853034
8.357498
0.399462
other
K32Al8O28
68
14
1,253.04
mp-558346
7.578127
6.587903
-3.009649
other
Nd4I12O36
52
14
795.54
mp-1201198
7.353451
6.23856
-3.95599
other
K16V8O48
72
14
1,180.18
mp-2932
-5.598155
-2.021151
4.350143
other
Y4Si8Mo6
18
14
301.9
mp-28775
11.054053
9.130795
-3.7122
other
Mo4As8O28
40
14
575.87
mp-772219
-1.237106
1.910574
-1.682902
other
Ba8La8I40
56
14
2,778.72
mp-23452
8.917515
2.251607
1.344528
other
Sn12Br4F20
36
14
684.81
mp-818570
7.168465
6.724484
-4.299186
other
Mn4S4O24
32
14
601.64
mp-1214395
8.477389
1.225856
1.169602
other
Ba8In8F40
56
14
914.33
mp-5913
12.281508
6.608453
0.386507
other
Pr8Si8O28
44
14
617.47
mp-866521
-3.370569
-1.770056
-5.633615
other
Ca8Sn4S16
28
14
676.77
mp-561639
-3.548344
-1.510686
-5.151989
other
Cs4Sb4S8
16
14
536.84
mp-1209755
7.536936
9.314985
-3.797848
other
Th8Cr16O80
104
14
1,628.55
mp-1181899
6.82423
5.967121
-3.370079
other
Cd2Br4O8
14
14
239.76
mp-1176671
10.614349
0.109612
0.201544
other
Li4Mn8F28
40
14
537.01
mp-754271
12.447939
-1.045451
0.96388
other
Mn6O4F8
18
14
218.43
mp-1202892
6.510389
5.822726
-4.683765
other
Mn8N8O40
56
14
687.9
mp-30989
6.247759
5.162801
-4.461669
other
Sn4N16O48
68
14
897.99
mp-1182616
7.58483
5.974163
-4.786914
other
Ca4S4O24
32
14
566.15
mp-31250
13.317947
5.219273
-2.192071
other
Bi4B4O12
20
14
259.34
mp-7020
9.632917
8.858222
3.174145
other
Li4Y4O8
16
14
206.94
mp-1213168
11.353106
10.985202
-4.134329
other
Dy4Mo4O20
28
14
418.24
mp-726636
1.229177
2.414529
1.103273
other
K8Mn4N16
28
14
591.21
mp-1210147
7.261995
7.555532
-3.90272
other
Ni4S4O32
40
14
545.74
mp-30105
-4.229855
-2.466315
-3.530579
other
Ba8B16Se52
76
14
1,938.92
mp-1237642
7.607433
7.145462
-4.258161
other
U8Cl8O40
56
14
1,013.1
mp-28538
3.688243
-0.640585
-2.613358
other
Si4H12I4
20
14
420.54
mp-28126
-5.935755
-3.403708
-1.918541
other
K8Ge4Te16
28
14
1,074.78
mp-818408
11.355639
7.761368
-5.782316
other
Co12P8O36
56
14
821.87
mp-697815
9.166733
7.809832
-5.60318
other
Cr4P8O32
44
14
611.62