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-1179519
4.532006
4.211348
-4.223497
other
Sn8Cl16O12
36
14
1,190.96
mp-505373
-3.960919
-2.292189
-3.681762
other
As4Se4I4
12
14
397.04
mp-675535
-5.852188
-4.88644
1.063269
other
La4Sn2Sb8
14
14
460.93
mp-759052
10.446036
0.926052
1.649907
other
Li8Mn12F32
52
14
703.22
mp-758554
8.803423
1.010631
-0.381199
other
Li8Ag4F20
32
14
466.51
mp-759544
8.268218
10.519555
-0.481662
other
In6Cu6O16
28
14
359.36
mp-1247179
1.513041
2.369487
1.272195
other
Mn12In32N36
80
14
1,365.68
mp-780657
10.10767
2.18762
1.681241
other
Li24V12F60
96
14
1,053.33
mp-1378069
9.583737
2.200763
1.54855
other
Ca4V4F20
28
14
396.77
mp-17523
9.676879
1.048342
1.018611
other
Na4Cr4F16
24
14
295.15
mp-560974
12.51096
7.452895
0.43839
other
Be8Al48O80
136
14
1,174.48
mp-558731
-3.706606
-1.195459
-5.649695
other
Li8Te4S12
24
14
488.31
mp-729796
7.417253
4.946419
-5.103158
other
Bi4C12O36
52
14
812.75
mp-27238
8.302576
2.210193
-0.806744
other
Sb4Xe4F36
44
14
776.3
mp-1200490
10.791911
8.310311
2.417036
other
Tb16Al8O36
60
14
846.44
mp-562028
9.080362
1.11591
1.581005
other
Cs14Fe8F30
52
14
1,008.84
mp-768813
10.406303
7.945844
-0.26476
other
Rb16Si4O16
36
14
711.33
mp-1181701
7.649881
6.562172
-4.538789
other
Mg4B12O52
68
14
1,074.17
mp-1229024
6.500437
0.225563
-3.308156
other
B40H44C8
92
14
880.76
mp-14243
9.656412
9.396413
-1.338093
other
Cd6Te2O12
20
14
252.33
mp-1208712
9.421915
0.587015
-0.038793
other
Sr8Co8F40
56
14
772.74
mp-1210612
7.076798
5.797795
-4.445914
other
P4N8O16
28
14
559.61
mp-1179408
5.651212
5.476783
-3.592648
other
Sr4I8O8
20
14
634.65
mp-1246001
2.759723
2.33914
1.733457
other
Si4Ge4N8
16
14
225.33
mp-1201567
7.778319
7.579165
-4.456207
other
V6P4O40
50
14
838.71
mp-1178552
8.408801
1.186307
1.903509
other
Ba8Y8F40
56
14
957.98
mp-27692
13.814849
4.195679
-2.244797
other
Ba8B32O56
96
14
1,106.68
mp-1101890
-4.980224
-1.703079
-2.111324
other
P4Ru4Se4
12
14
200.28
mp-29614
-1.154926
2.208428
-2.067429
other
K4Eu8I20
32
14
1,279.78
mp-27307
8.656324
1.261
1.202649
other
Na8Zr4F24
36
14
468.18
mp-555135
7.467676
10.900006
1.549175
other
Nd16Ni12O40
68
14
833.54
mp-772665
7.893008
9.783981
-3.856213
other
Be4Cr4O16
24
14
341.77
mp-29812
1.280508
1.879125
-5.32873
other
Ba8Co4Cl24
36
14
976.96
mp-770463
9.669671
8.41464
-0.266469
other
Cs12Ga4O12
28
14
654.03
mp-1196511
-0.257381
0.768871
-2.535528
other
Pr16C16Cl10
42
14
876.1
mp-555292
7.222207
3.074839
-2.617752
other
P8N8F16
32
14
450.39
mp-1190577
13.451733
5.36051
-6.412735
other
Tb4P4O16
24
14
270.37
mp-1197310
9.181999
8.004889
-5.835958
other
Co8P16O56
80
14
1,037.99
mp-772201
11.690465
11.20137
-2.213784
other
Ge8W8O32
48
14
692.01
mp-1198379
7.725827
7.161215
-4.32953
other
U8Cl8O40
56
14
1,220.68
mp-780676
7.689658
9.886118
-3.821403
other
Na8Cr16O52
76
14
1,159.03
mp-1201494
-4.154333
-3.955615
-3.424595
other
Rb8Th28Se60
96
14
2,713.47
mp-1102833
-6.31274
-3.033421
0.422547
other
Sb4Os4S4
12
14
227.57
mp-562441
9.655308
8.279565
0.061076
other
Cs12Al4O12
28
14
663.9
mp-9680
-6.053875
-3.538641
-2.133236
other
Na12Al4Te12
28
14
876.6
mp-1224910
-6.282046
-2.35006
-0.765112
other
Fe2Ni2Te8
12
14
254.03
mp-1210609
4.167202
3.422554
-3.935315
other
P8S4N24
36
14
1,292.41
mp-752689
9.282214
8.929529
0.943788
other
Ba4Na4O6
14
14
277.52
mp-27604
11.383016
10.938005
-3.840369
other
Mg4Mo8O28
40
14
630.36
mp-26494
10.244916
8.01501
-6.633704
other
Cr4P8O28
40
14
532.12
mp-776763
10.620264
11.045498
-2.687848
other
Ti12W8O48
68
14
1,128.07
mp-14600
12.34393
7.316478
0.904454
other
Ca8Al16O32
56
14
723.68
mp-561584
11.341902
7.649023
0.722016
other
Gd8Ge4O20
32
14
437.42
mp-21664
11.249625
8.075563
-4.592829
other
Co12As8O32
52
14
640.73
mp-776405
-3.683729
-1.258503
-5.537052
other
Li12Sb4S14
30
14
587.67
mp-20934
-5.711304
-2.285677
4.546299
other
Pu4Si8Tc6
18
14
300.13
mp-759743
10.678895
9.213799
-0.716349
other
Sb20O28F4
52
14
1,051.36
mp-1047359
11.386098
7.953634
-4.016218
other
Sb6As8O32
46
14
727.19
mp-1180607
6.180287
5.529475
-4.329526
other
Mg2N12O32
46
14
693.3
mp-1094108
-3.924245
-1.587314
-5.9389
other
Na4Zn4S6
14
14
308.33
mp-1193761
-4.03426
-1.534894
-5.325407
other
Rb12Fe4S12
28
14
864.44
mp-772779
8.992299
6.979167
-3.661311
other
Ca4Se8O24
36
14
598.8
mp-27548
10.257167
9.482554
-2.167598
other
Cu4Te8O20
32
14
483.16
mp-1203856
7.826368
7.148866
-4.765323
other
Mn12P8O60
80
14
1,115.17
mp-1211509
-0.991287
1.451304
-1.670967
other
K4Sm8I20
32
14
1,196.13
mp-570218
3.438879
-0.656594
-2.256489
other
Li12Be12H36
60
14
485.26
mp-570193
1.858194
2.735495
-4.924184
other
Na16Au16Cl64
96
14
2,752.95
mp-21835
-5.114428
-6.033998
0.48456
other
Cs16In16Sb24
56
14
2,320.69
mp-26818
12.480493
8.987672
-7.473314
other
V4P8O28
40
14
508.15
mp-770408
9.983693
8.64778
0.265559
other
Rb12Ti4O14
30
14
638.84
mp-16913
10.110034
8.028682
-2.989321
other
Ag8Se4O12
24
14
379.08
mp-1209205
-1.00013
1.497107
-1.716716
other
Rb4Sm8I20
32
14
1,214.91
mp-705134
11.252982
10.980886
-3.898429
other
In16Mo24O96
136
14
2,608.74
mp-5563
10.587389
8.000067
-2.51926
other
Ag20Ge4O16
40
14
582.56
mp-540082
12.532266
8.864078
-5.718191
other
Mo8P12O48
68
14
944.44
mp-28894
-3.398543
-4.298172
0.880639
other
Ba8P12Pd4
24
14
611.6
mp-753429
-3.691802
-1.443859
-5.555062
other
Li8Bi4S14
26
14
570.53
mp-768745
14.325746
5.413445
-7.674149
other
Hf4P8O28
40
14
587.01
mp-1192703
8.071933
6.560708
-5.236747
other
Cd4S4O20
28
14
414.13
mp-505639
-5.889255
-3.064205
-1.625004
other
Rb12Ti12Te44
68
14
2,548.96
mp-25202
9.178763
10.626308
0.909631
other
La4Mo2O12
18
14
279.53
mp-1188621
9.40217
9.688862
2.953281
other
Eu6Nb2O12
20
14
289.3
mp-1193870
6.676247
6.063455
-3.87074
other
Mg2Cl4O24
30
14
540.61
mp-759983
10.362722
2.346975
-0.397455
other
V4O4F12
20
14
357.67
mp-570411
-4.816479
-3.129445
-3.847407
other
K48In8Se36
92
14
3,188.45
mp-1182271
8.365417
2.883138
-1.256265
other
Hf4O12F16
32
14
597.22
mp-1190500
-4.67491
-2.806446
-3.665306
other
Na8Te4Se12
24
14
657.3
mp-754388
-1.262041
1.95168
-1.681507
other
Ba4Sr4I16
24
14
1,288.41
mp-4721
-4.44454
-2.738707
-3.626808
other
Rb4Sb12Se20
36
14
1,115.19
mp-1196611
-2.798701
-2.398712
-5.66303
other
La8Ge4S20
32
14
793.14
mp-1212060
8.606655
1.428289
1.008008
other
In4Pb8F28
40
14
585.24
mp-18700
10.926401
7.561993
-0.290035
other
K16Si4O16
36
14
631.67
mp-569337
-5.866334
-3.455901
-2.021185
other
Na32Si16Te40
88
14
2,704.06
mp-651358
1.109033
1.565735
-5.077548
other
Ba8Er4Cl28
40
14
1,127.11
mp-1177921
10.305031
0.902421
1.55446
other
Li4Mn2F8
14
14
160.55
mp-767436
12.940771
8.708903
-5.838765
other
P12W8O52
72
14
1,031.13
mp-771698
11.132529
8.025993
1.959778
other
La8Al8O24
40
14
569.58
mp-29142
11.554598
11.015398
-3.99479
other
Ho4Mo8O30
42
14
657.18
mp-1345279
9.692209
0.472207
0.624188
other
Ca4Mn4F20
28
14
399.24
mp-555269
-3.760594
-1.336284
-5.497601
other
Ag12Sb4S12
28
14
619.9