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-1200283
6.619302
5.603177
-4.460793
other
Na8Sb8N8O32F24
80
61
1,210.96
mp-699566
13.638988
7.650326
-6.452382
other
Ba8V8Cd8P16O72
112
61
1,596.66
mp-1196337
8.18091
0.893605
-4.360605
other
Cr8P8H96C32O32
176
61
2,220.21
mp-1195275
8.339982
1.970047
-4.383978
other
Rb8H24C8N16O8
64
61
801.8
mp-1209550
10.89614
11.097656
-3.828246
other
Rb8Li8Mo8H8O32
64
61
1,147.84
mp-542745
9.601516
2.047871
-4.404657
other
P8H48C8N8O24
96
61
865.84
mp-723054
7.0169
6.054202
-4.174117
other
Cd8H8Se8N8O48
80
61
1,135.92
mp-652068
8.931203
4.029233
-5.286981
other
K16S32N16O64F32
160
61
2,540.07
mp-557775
3.814408
3.200412
-4.404316
other
P8S8N8Cl32O16
72
61
1,808.91
mp-1197067
8.294397
1.088417
-4.45064
other
H56C16S8N8O8
96
61
1,226.9
mp-759393
8.289754
1.893788
-4.43349
other
Cu4H64C16N40O8
132
61
1,166.45
mp-707277
7.62766
2.086998
-4.409754
other
Ag8H16C16N24O8
72
61
867.16
mp-557968
12.612972
6.396022
-0.860454
other
Ba16Ti16Si16O72F16
136
61
1,850.19
mp-559314
13.805609
5.001295
-6.857912
other
Na40Ti8P16O72F8
144
61
1,828.73
mp-1195199
9.277747
7.719047
-4.284517
other
V8Pb8Se8O40F8
72
61
1,099.64
mp-1197788
11.842152
5.823395
-5.650071
other
U8P16H16C8O56
104
61
1,351.94
mp-764827
11.02663
7.694351
-5.241004
other
Fe16Cu8As16H16O80
136
61
1,556.01
mp-707929
8.7582
3.596968
-5.924407
other
Li8B8H16C32O72
136
61
1,479.26
mp-542041
9.496419
2.677536
-4.803749
other
P8H56C8N16O40
128
61
1,222
mp-556951
8.711249
2.708513
-5.21897
other
Cu8H24C16N8O32
88
61
943.15
mp-735688
9.425602
2.199078
-3.708543
other
H96W8N24O24F40
192
61
2,607.36
mp-1212339
8.117592
2.076988
-4.749641
other
Mn4H48C16N72O16
156
61
1,687.41
mp-1197792
13.474412
7.634845
-6.53229
other
Ca8Fe24P24H16O104
176
61
1,929.44
mp-1202863
8.680455
3.973207
-6.879283
other
Na8Mg8P8C16O48
88
61
1,153.19
mp-1198885
8.303702
2.371313
-1.391184
other
Sb16P8H24C32F160
240
61
3,848.88
mp-1203380
12.2452
6.22683
-4.733568
other
Li8B8P16Pb32O88
152
61
2,195.22
mp-1200565
11.529625
4.480347
-5.15745
other
Pu8P16H32C8O56
120
61
1,392.43
mp-1203131
10.313585
3.572279
-4.406802
other
Sr8P8H56C8O48
128
61
1,583.03
mp-558806
8.32918
2.321928
-1.224565
other
Hg4Te8C8N8F64
92
61
1,440.89
mp-1198645
13.375236
7.927772
-6.573771
other
V8Zn8P16Pb8O72
112
61
1,498.43
mp-13810
12.478592
6.694209
-1.041255
other
Na16Ti8Zn16Si8O56
104
61
1,213.32
mp-849748
11.812914
4.598259
-5.145813
other
Na8Mg8P24H64O80
184
61
2,032.04
mp-1199815
7.937202
6.199365
-4.7913
other
Sb8S8N16O32F24
88
61
1,561.13
mp-703380
8.361444
1.538663
-4.484021
other
H48C8S8Br8N24
96
61
1,169.59
mp-1198461
12.261437
6.23343
-6.958948
other
Na80Fe16P32O128F32
288
61
3,620.68
mp-504845
10.56594
5.16616
-4.273137
other
Na8Li8Mo8H32O48
104
61
1,175.2
mp-1203918
8.303634
0.872788
-4.523571
other
Sn8H64C16Br24N8
120
61
2,188.66
mp-1203097
10.423282
3.870713
-5.171571
other
Li8H32S8N8O40
96
61
940.83
mp-760342
10.67336
5.593182
-4.269975
other
K8Li8H16W8O40
80
61
1,110.92
mp-559384
12.336318
6.430454
0.070396
other
Ba8Na8Nd8Si16O56
96
61
1,442.73
mp-733936
9.462481
3.493088
-5.795983
other
Cs8Mg4H32C8O40
92
61
1,119.23
mp-1194852
11.784054
4.704267
-5.099203
other
Na8Cd8P24H64O80
184
61
2,240.61
mp-1213145
8.196512
1.911086
-4.412989
other
H64Pd4C16N40O8
132
61
1,217.24
mp-568812
8.264692
0.701229
-4.47059
other
Cd4H64C16N8Cl16
108
61
1,290.89
mp-720815
10.241239
4.363519
-4.379467
other
K8Te4H24O24F8
68
61
931.49
mp-561031
12.851946
7.231254
-6.517249
other
Rb16Mg8P16W8O80
128
61
2,018.45
mp-1195791
8.095635
0.515354
-4.427592
other
Zr8H256C80I8N40
392
61
4,343.2
mp-728669
10.06766
4.185979
-4.182305
other
Li8Mo8H48N8O40
112
61
1,304.81
mp-699488
10.72611
3.95815
-4.294293
other
Cs4Ti4H96S8O80
192
61
1,933.2
mp-850003
11.034757
7.698369
-7.33883
other
Na8Ca8Fe24P32O128
200
61
2,488.97
mp-728709
10.733873
3.843126
-4.554877
other
Co8P8H32Cl8O24
80
61
956.88
mp-1204164
8.340632
2.001953
-4.373317
other
K8H24C8N16O8
64
61
756.72
mp-1201601
11.584281
7.689282
-6.865087
other
Rb8V8P8H8O48
80
61
1,169.24
mp-600172
8.255599
0.92801
-4.439775
other
Cu8H96C40S32N8
184
61
2,161.5
mp-1200514
11.829695
4.777695
-5.221051
other
Cu4B8P8H24O48
92
61
936.33
mp-735046
11.448218
7.623807
-6.79571
other
K8V8P8H8O48
80
61
1,094.63
mp-729644
10.316557
4.004065
-4.422112
other
Cs4Mn4H96S8O80
192
61
1,928.15
mp-1205215
10.912762
4.645013
-6.637454
other
K8U8H8S8O56
88
61
1,313.43
mp-680197
4.76368
2.769177
-3.634779
other
K8Ag8C16S16N16
64
61
1,320.3
mp-773491
9.952868
3.54653
-5.16361
other
Rb8H16S8N8O24
64
61
889.73
mp-15526
13.61659
7.747341
-6.704373
other
Sr8V8Zn8P16O72
112
61
1,501.57
mp-604583
7.948134
1.937969
-4.477582
other
Rb8H40C56S8O40
152
61
1,977.66
mp-605665
8.009771
0.484817
-4.426497
other
H96Ru4C32S16Cl8
156
61
1,844.12
mp-559833
8.998332
3.573763
-6.57066
other
Na16Y8C8O24F24
80
61
1,006
mp-556904
6.909126
5.009939
-4.411826
other
K8Sb8N8O24F24
72
61
1,192.93
mp-1194525
8.236531
0.744639
-4.373294
other
Co8H96C16I32N16
168
61
3,027.53
mp-720586
8.457181
4.162831
-4.430164
other
Ca8H32N8Cl8O40
96
61
1,228.09
mp-697268
9.875166
3.714463
-5.212631
other
Ag8H16S8N8O24
64
61
776.84
mp-1199443
8.0718
1.548934
-4.489853
other
Sn8H48C8N24Cl24
112
61
1,803.36
mp-556836
8.436193
3.820882
-6.58617
other
Na16Eu8C8O24F24
80
61
1,063.18
mp-14065
11.999987
7.513904
-0.592121
other
Na16Ti8Zn16Ge8O56
104
61
1,315.22
mp-1204629
8.200903
0.733077
-4.387914
other
P16H216C80N32Cl8
352
61
3,916.96
mp-542541
12.055548
4.896035
-5.001631
other
Cs8P8H24O32F8
80
61
1,088.86
mp-728203
10.717134
3.926353
-4.535377
other
Ni8P8H32Cl8O24
80
61
931.15
mp-707169
8.140308
1.618361
-4.583478
other
Cu8H32C24Cl8O16
88
61
1,160.5
mp-720300
7.960207
1.713694
-4.411063
other
H64C16S16N32Cl16
144
61
1,909.29
mp-1238590
9.088292
2.4156
-1.969317
other
As8H24C8O16F48
104
61
1,308.24
mp-1197790
9.973688
2.12273
-3.840979
other
Ga8H64N16O8F40
136
61
1,173.94
mp-24058
9.327869
2.100008
-1.797976
other
Ag8B8H16O8F32
72
61
777.81
mp-705070
4.392798
2.313713
-3.242026
other
K32Mo8C40N48O8
136
61
2,655.64
mp-1204093
7.912992
0.547792
-4.493731
other
In8H96C32Se16Cl24
176
61
2,511.11
mp-728422
9.622515
2.264534
-4.144547
other
Mo8H96N24O24F40
192
61
1,865.09
mp-23650
3.73371
3.051987
-3.954096
other
Te8Se8S8N16Cl16
56
61
1,515.24
mp-560794
13.290372
7.068863
-5.4945
other
Ba8Nb8Te8P8O64
96
61
1,468.99
mp-1199473
7.825354
0.190334
-4.457756
other
Cs8Si16H144C48N8
224
61
2,945.41
mp-605752
8.088574
0.604028
-4.501606
other
Hg16H96C32I40N8
192
61
3,916.53
mp-561324
2.946977
2.878879
-4.376706
other
V8P16N8Cl80O8
120
61
3,547.74
mp-24733
11.764712
4.632342
-5.109426
other
Na8Zn8P24H64O80
184
61
2,079.11
mp-728306
11.66828
4.70678
-5.136437
other
Na8Co8P24H64O80
184
61
2,047.29
mp-568043
8.361275
0.690693
-4.457804
other
Mn4H64C16N8Cl16
108
61
1,213.86
mp-1198280
7.979604
0.431911
-4.475007
other
Li16H256Pt8C96O16
392
61
4,010.06
mp-1198269
8.31333
2.255916
-0.875477
other
Na8Sb8Cl8O8F24
56
61
1,034.19
mp-730446
10.835814
4.033129
-4.426986
other
Al8H80S8O72F8
176
61
1,618.25
mp-601242
8.463497
3.344431
-5.823084
other
K16V8H32C32O72
160
61
2,178.25
mp-979340
1.940811
2.100289
1.598645
other
Sr16Li8Ta8N24F8
64
61
960.67
mp-15531
13.71038
7.762133
-6.606326
other
Ba8V8Zn8P16O72
112
61
1,550.94
mp-1198848
7.401778
0.257511
-4.133649
other
Cr8B48P16H272C48
392
61
4,368.26
mp-1211169
12.15791
5.014947
-5.111313
other
Mn4Al4P4H16O28
56
64
543.47
mp-6838
12.59692
6.632794
-1.131277
other
Na8Li4Fe4Si24O60
100
64
1,281.54
mp-14030
12.961694
6.202884
-0.635972
other
Na8Li4Y4Si24O60
100
64
1,315.99