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-541747
10.046749
2.415256
-2.773982
other
Mg2Ge2H24O12F12
52
14
547.93
mp-707931
5.626752
3.232363
-4.662087
other
H12Os16C48Cl4O48
128
14
2,118.41
mp-1200933
8.452779
2.310369
-4.633774
other
H32C4Br4N20O12
72
14
756.88
mp-766684
9.511001
3.606113
-8.718789
other
Li12Mn4P4C4O28
52
14
546.66
mp-707976
9.695347
5.443367
-4.1654
other
K4H8Se4N4O12
32
14
462.21
mp-1214073
10.292316
4.670393
-4.633237
other
Cs4Mn2H24Se4O28
62
14
844.25
mp-1203110
8.534741
0.934985
-4.509533
other
Cu2H20C4N4Cl8
38
14
444.37
mp-732271
4.923247
3.069175
-3.701972
other
Sn4C4S4N8Cl8
28
14
771.93
mp-746739
11.204481
7.63026
-7.41189
other
Sr4Fe12P16H4O64
100
14
1,255.16
mp-1221694
10.953905
4.388726
-3.869846
other
Na4Sr24H68Pd8O68
172
14
1,901.88
mp-1182135
7.114465
1.543666
-4.187623
other
Cu2H16C4N4Cl8
34
14
553.32
mp-1214449
11.928725
7.24111
-6.912836
other
Ba4Fe4P4O16F8
36
14
488.95
mp-1205024
8.118462
5.620898
-5.413156
other
K16U4C8Se8O60
96
14
1,663.12
mp-679669
1.925286
1.92582
2.311511
other
Na4Zr8S4N8Cl4
28
14
472.64
mp-567824
4.273076
2.343972
-3.284857
other
K4Na2Co2C12N12
32
14
562.14
mp-1210354
5.365977
3.028896
-3.933176
other
Sr4C8S8N8O12
40
14
768.56
mp-1204928
6.749095
6.224321
-3.77433
other
Pr4H4I4Cl4O52
68
14
1,145.72
mp-1202457
7.873479
0.135245
-4.474555
other
Zn4Si16H144C48N8
220
14
2,666.28
mp-1194524
12.048015
7.634295
-7.504716
other
K4Fe4Co4P8O32
52
14
693.91
mp-746791
9.107648
4.979647
-4.538111
other
Fe4H40S8N4O44
100
14
1,329.51
mp-758109
12.482719
5.471051
-6.066811
other
Mn8P4H8C4O28
52
14
621.25
mp-767960
9.228311
4.759773
-8.30455
other
Na8Fe4P4C4O28
48
14
609.08
mp-738633
7.203352
0.193644
-3.8775
other
Ag4B40H104C24N4
176
14
1,618.18
mp-1201119
7.758875
0.575047
-4.500334
other
Ga4H24C8Se4I12
52
14
1,189.46
mp-1200227
7.991142
0.435086
-4.476629
other
Li4Si16H108C36O12
176
14
2,092.93
mp-558648
8.193318
3.842223
-3.995933
other
C4S4Cl4O12F12
36
14
621.4
mp-1228794
11.049331
11.722641
-3.1687
other
Ba8V8Bi4P4O44
68
14
1,054.68
mp-1198158
10.249174
4.679854
-4.456423
other
Tl4Co2H24Se4O28
62
14
733.4
mp-1196027
10.483266
4.179904
-5.226142
other
Na4Fe2H16S4O24
50
14
518.74
mp-707788
12.418935
4.176751
-3.112
other
Na4Ca4B20H40O56
124
14
1,126.95
mp-707459
11.58239
4.492894
-4.739237
other
Na8Zn4P8H40O48
108
14
1,112.52
mp-707413
10.000635
2.151237
-3.826862
other
Cu8H96N16O16F32
168
14
1,406.08
mp-697888
9.596797
5.754951
-4.243578
other
Na4Cd2H8Se4O20
38
14
470.65
mp-605091
8.422348
0.968532
-4.351109
other
V8Sn8H72C24O24
136
14
1,674.66
mp-1199345
10.623986
4.101109
-4.804259
other
Na4Al4H48S8O56
120
14
1,166.99
mp-720397
8.899707
1.576052
-4.129885
other
H72Ru4N20Cl8O8
112
14
1,074.64
mp-1196255
9.327563
3.398226
-5.28779
other
Gd4H24C8Cl4O28
68
14
776.01
mp-1211989
8.536663
8.395359
-3.960216
other
Re8Pb4C4N8O40
64
14
1,404.38
mp-567794
8.331977
0.782738
-4.465424
other
Zn4H64C16Br16N8
108
14
1,540.41
mp-1195272
8.497986
2.099766
-4.641162
other
U4H48C24N12O32
120
14
1,430.6
mp-707485
11.288226
7.329092
-4.404366
other
K8Cu6As8H4O32
58
14
850.09
mp-1222198
9.310916
3.34318
-5.156276
other
Mg2Zn2H24C8O24
60
14
598.86
mp-766593
9.228204
3.950351
-8.476396
other
Li12Ni4P4C4O28
52
14
521.58
mp-1215026
13.080958
6.556065
-6.04934
other
Ba4P12H4N4O36
60
14
1,127.6
mp-1208739
8.560022
1.631435
0.293188
other
Sr4Al4H4O4F16
32
14
486.48
mp-849799
10.805659
3.257832
-4.523338
other
Ca4P12H64N12O48
140
14
1,411.7
mp-667356
6.787268
2.967423
-3.965164
other
P16Ru16C64O48F48
192
14
3,229.55
mp-766706
9.681124
3.789054
-8.537895
other
Li12Cr4P4C4O28
52
14
551.98
mp-1195495
8.419666
0.85437
-4.47562
other
Co4H48C8N8Cl16
84
14
1,124.46
mp-1198333
10.473186
4.152154
-5.202026
other
Na20Cu8H56S16O76
176
14
1,993.8
mp-780095
13.045688
6.498006
-6.392894
other
Li4Mn4P12H8O40
68
14
854.54
mp-1203168
7.96758
0.468915
-4.412144
other
Sn8H48C16Cl8O4
84
14
1,274.06
mp-735063
9.140338
2.660007
-4.673372
other
H28C4S4N12O16
64
14
619.32
mp-1196582
7.966714
8.713336
-3.991792
other
K8U8Cr8O60F8
92
14
1,659.87
mp-1202242
8.619626
3.527408
-6.192795
other
Na4Mg4H8C12O28
56
14
669.66
mp-24623
9.451415
3.605226
-5.67531
other
Rb4Ni2H16C4O20
46
14
552.31
mp-1204151
8.644406
3.416759
-6.454745
other
Na8Ce4H8C20O44
84
14
1,092.35
mp-1204034
4.006565
3.078015
-4.112735
other
Sb8C16S8Cl24O8
64
14
2,199.6
mp-557850
11.811077
7.319698
-7.038661
other
Sr4Fe4P4O16F8
36
14
455.34
mp-680232
4.735257
2.743375
-3.608183
other
K16Ag8C24S24N24
96
14
2,088.39
mp-1016212
10.543928
3.719976
-4.460305
other
Sn12H24C4N4O28
72
14
939.79
mp-772240
10.455828
4.226052
-5.783068
other
Li4Mn2H8S4O20
38
14
387.67
mp-24759
10.321937
3.635327
-4.377287
other
Zn2H40Se4N4O28
78
14
748.11
mp-722342
13.333117
4.38968
-2.61658
other
Na4Ca8B36H32O80
160
14
1,545.38
mp-777578
11.479691
7.055487
-6.961122
other
Li4Mn4P8H8O32
56
14
648.8
mp-652318
5.952829
3.51211
-4.787673
other
Cr4Fe8C40Se16O40
108
14
2,022.07
mp-24357
9.157088
3.478154
-3.665916
other
H12C4S4O16F12
48
14
595.98
mp-637244
5.636174
3.445451
-4.624696
other
Mn8Sn4C40Cl8O40
100
14
1,810.35
mp-1194854
9.233397
7.106135
-3.71343
other
Na4Yb4B4Te2O20
34
14
431.66
mp-1182808
10.639031
3.181325
-4.420922
other
Cr4P8H64N12O40
128
14
1,216.36
mp-1203246
12.010272
5.192745
-4.876722
other
Sc4As8H16N4O28
60
14
751.82
mp-1211379
10.505186
6.252512
-5.711702
other
Ni2P12H8N8O36
66
14
986.57
mp-556404
13.777741
6.835064
-6.5683
other
Na16Mn8P8O32F8
72
14
900.63
mp-863295
11.101381
8.109385
-7.196646
other
Cs4V4Ga4P8O40
60
14
920.21
mp-1214715
8.218387
2.71639
-1.493725
other
Be4Tl4Co2O12F16
38
14
575.89
mp-505660
4.212835
2.294748
-3.218533
other
Cs4K2Fe2C12N12
32
14
717.93
mp-1195352
8.203733
2.544871
-4.692176
other
Zn2H16C8N4O12
42
14
755.51
mp-1205218
6.911373
5.164443
-4.533841
other
Na4Mo4C8N4O36
56
14
1,053.92
mp-735512
9.121995
1.67019
-4.168954
other
Cr4H68N16Cl8O12
108
14
1,039.36
mp-571511
8.266544
0.777071
-4.539002
other
Hg4H40C12Br12N4
72
14
1,126.34
mp-1207936
10.080415
8.080359
-6.350114
other
V4B4P8N4O36
56
14
739.2
mp-758313
11.516516
7.292739
-4.191021
other
Ba4Zn8As12H4O44
72
14
1,010.56
mp-703398
10.330252
3.732946
-4.393009
other
Cu2H40Se4N4O28
78
14
747.75
mp-560533
8.416646
2.397627
-4.839606
other
Cu2H16C8N4O12
42
14
472.15
mp-698151
9.530221
6.70063
-4.942453
other
In4P8H16N4O32
64
14
727.8
mp-600198
8.230599
0.842695
-4.484843
other
Te4H84C28N12Cl24
152
14
2,029.08
mp-1197914
7.912859
0.460647
-4.464555
other
Cu4H24C8Se4Cl4
44
14
567.25
mp-758007
12.436347
5.19415
-5.475818
other
Ba4Ca2P8H12O32
58
14
680.18
mp-1199287
7.206278
0.290578
-3.843297
other
B36H100C16N4Cl4
160
14
1,795.4
mp-771916
9.544108
3.57656
-5.521183
other
Li4Ni2H16C4O20
46
14
399.8
mp-728473
8.542147
1.551522
-4.504133
other
Cr12H96C32N8O40
188
14
2,008.23
mp-831268
10.198471
3.780022
-4.711502
other
Mn2H24S4N4O20
54
14
527.62
mp-24755
10.148396
4.695641
-4.5156
other
Rb4Ni2H24Se4O28
62
14
742.95
mp-683598
5.706373
3.522614
-4.5372
other
P4W4C20Br12O20
60
14
1,294.85
mp-722988
10.80466
3.4124
-4.465432
other
Te2P8H52N8O40
110
14
1,096.48
mp-1196938
8.601439
3.879259
-5.650902
other
K4Mo4H8C8O30
54
14
757.72
mp-1199110
8.125849
0.802097
-4.496373
other
Si4H36C12N8Cl12
72
14
942.08
mp-759228
11.795135
4.61017
-4.914408
other
Li4Fe2P8H32O40
86
14
823.2
mp-1202438
10.569858
4.069155
-4.912038
other
Tl4Zn2H24S4O28
62
14
720.42
mp-17165
4.169029
2.191737
-3.190432
other
Cs4Na2Cr2C12N12
32
14
687.05