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-1202482
10.514601
4.071367
-5.168178
other
Cd12H72S16N8O84
192
14
2,011.13
mp-775735
9.340236
1.37525
-1.268791
other
Sr8Co4C4O12F20
48
14
661.98
mp-1210871
10.46276
3.471411
-4.547035
other
Mn2H40S4N4O28
78
14
723.64
mp-542533
11.853399
4.018929
-3.392677
other
Cs4Na4B16H48O52
124
14
1,261.59
mp-768644
9.014178
4.736497
-8.422274
other
Li8Fe4P4C4O28
48
14
550.2
mp-603414
9.838062
5.083945
-4.393585
other
Rb8Te4H24Se4O40
80
14
1,135.12
mp-1194998
10.174609
2.432383
-3.847782
other
Mn2H16N4O4F8
34
14
298.61
mp-1204478
8.219907
0.675985
-4.526424
other
Fe4H64C16N8Cl20
112
14
1,841
mp-1223434
-2.768984
-1.705958
-5.382182
other
La4Ce4Sb8S16Br16
48
14
1,396.25
mp-780175
14.349985
7.559458
-5.953102
other
Li8Fe6P8H4O32
58
14
685.39
mp-1203409
7.002329
4.641076
-4.750272
other
U4C8S4N16O32
64
14
1,126.52
mp-1202388
8.631837
3.024238
-4.690451
other
H28C8N16Cl4O20
76
14
767.78
mp-23912
10.403731
3.510096
-4.537835
other
Ni2H40S4N4O28
78
14
656.69
mp-1200522
8.623038
3.492293
-6.359173
other
Na8La4H8C20O44
84
14
1,113.67
mp-703516
9.113094
2.20418
-1.314066
other
K8Ti4H8O12F16
48
14
663.27
mp-1213503
6.917288
5.5474
-4.424135
other
Cu2H12S4N4O16
38
14
571.56
mp-1182432
4.827147
2.849813
-3.75096
other
Cd4C8S8I8N16
44
14
1,053.69
mp-1202063
10.140362
4.667092
-4.495707
other
K4Ni2H24Se4O28
62
14
705.49
mp-723175
12.341201
5.180842
-5.454406
other
K8Cu2P12H16O44
82
14
1,064.45
mp-540885
10.129911
3.190337
-4.19728
other
Na12P4H64S16O32
128
14
1,489.84
mp-1179953
10.175481
5.590748
-3.585943
other
Rb4Na4B16H16O52
92
14
1,173.75
mp-1195153
10.767107
4.107781
-6.001067
other
Tb4Cu2H8S4O24
42
14
463.26
mp-1215134
10.551641
2.79745
-4.460219
other
Al4P8H48N12O32
104
14
1,033.63
mp-559895
10.413675
9.57225
-1.931206
other
Er4Cu4Te8Br4O24
44
14
761.28
mp-1180195
6.239695
0.795594
-3.3703
other
Ni2B40H48C16N4
110
14
1,355.59
mp-558004
13.813685
7.543471
-6.437322
other
Ba4Ca4V4P8O36
56
14
761.29
mp-705887
13.116139
7.084639
-7.559775
other
Li8Ti4Cr4P12O48
76
14
905.61
mp-781961
12.899185
6.017507
-5.559484
other
Li4Cr4P4H8O20
40
14
434.72
mp-767952
8.384441
5.301763
-7.338233
other
Na4Mn4P4C4O28
44
14
560.33
mp-1204738
8.111514
2.429992
-1.459731
other
Fe4As8S16O32F48
108
14
1,918.83
mp-1224512
6.322736
5.030274
-4.441473
other
K8Pd2Pt2N16O32
60
14
970.68
mp-601211
8.10673
0.932364
-4.549749
other
Sb8H96C40N24Cl32
200
14
2,635.39
mp-1204285
7.928942
3.924194
-4.722198
other
Cs4H24Rh4N24O32
88
14
1,261.46
mp-1201889
8.425479
1.137314
-4.454427
other
K4H52C16N8O8
88
14
993.9
mp-1215075
7.486504
2.449734
-3.206847
other
Ag4H8C28O12F20
72
14
961.66
mp-1198456
11.679945
4.535495
-4.85499
other
Na4Zn2P8H32O40
86
14
868.79
mp-766585
9.764989
3.86224
-7.901449
other
Li12V4P4C4O28
52
14
546.35
mp-863008
7.256257
2.24107
-4.491787
other
Fe8B12H28C24O24
96
14
1,242.26
mp-1198124
12.866191
5.165092
-5.882563
other
Cs4B8P8H4O36
60
14
795.04
mp-722382
9.691187
2.248554
-4.423204
other
P4H44C4N8O16
76
14
690.08
mp-24729
12.29048
4.944515
-5.446268
other
Rb4Ga8P8H20O44
84
14
915.12
mp-601383
8.889294
2.997149
-4.577708
other
H28C4Se4N12O16
64
14
915.79
mp-1198259
7.9676
0.410267
-4.531161
other
Si4P8H72C24Br16
124
14
1,749.4
mp-729015
8.587005
10.134557
-3.5798
other
Cr4Cu4P4Pb8O36
56
14
786.49
mp-541870
12.275373
4.858844
-5.351789
other
K4Al8P8H20O44
84
14
860.64
mp-554739
7.941518
2.805632
-2.262041
other
C12I4Cl4O8F24
52
14
912.93
mp-1214721
8.635964
5.155931
-5.087621
other
Ba4Te4H12S16O24
60
14
1,247.42
mp-557603
8.600914
3.851962
-5.786775
other
K8Mo4H8C8O32
60
14
875.3
mp-849764
8.639725
1.434472
-4.162869
other
H112Pt8Br20N36O8
184
14
1,997.69
mp-722563
5.039273
3.374021
-4.04605
other
C8Se4N4Cl4O8
28
14
661.61
mp-555575
4.697973
2.730569
-3.635648
other
Rb8Ag4C12S12N12
48
14
1,181.65
mp-1195527
10.428447
4.260479
-5.795136
other
Na4Fe2H8S4O20
38
14
410.34
mp-1197752
-2.576381
0.653208
-3.623439
other
Cs6Re12Se16Cl12O4
50
14
1,456.68
mp-1215034
7.69967
1.862144
-4.259113
other
Ag4H16C8S8N12
48
14
684.01
mp-1196372
10.494178
4.095488
-4.889414
other
Tl4Co2H24S4O28
62
14
693.46
mp-746692
12.584358
6.554098
-6.341865
other
K4Co6P8H8O32
58
14
692.17
mp-574928
11.828794
4.793056
-4.994313
other
Cs4P4H12O12F4
36
14
532.47
mp-24111
10.437059
4.09049
-4.967344
other
Rb4Co2H24S4O28
62
14
710.7
mp-707501
8.125063
1.583844
-4.391066
other
Cd4H96C16Br24N48
188
14
2,434.01
mp-1196381
10.200934
4.338161
-5.270414
other
Na8Fe4H28S8O48
96
14
1,117.8
mp-1199425
8.765683
2.457971
-4.713581
other
Cu2H28C8N8O16
62
14
605.26
mp-540715
10.539206
3.466853
-4.534841
other
Fe2H40S4N4O28
78
14
718.38
mp-1204671
-3.245959
-1.445606
-5.640673
other
Cs12Sb4H8S16O4
44
14
1,347.69
mp-759976
14.429955
8.114978
-6.279542
other
Sr4Li4V4P4O24
40
14
491.66
mp-707856
10.833899
3.421993
-4.617582
other
Ca4P12H64N12O48
140
14
1,512.2
mp-1212759
8.020485
1.72675
-4.420866
other
H28C8S4N16Cl4
60
14
753.93
mp-1204770
7.008717
4.621622
-4.74105
other
U4C8S4N16O32
64
14
1,142.52
mp-783904
10.393774
3.557391
-4.540125
other
Ni2H40S4N4O28
78
14
726.24
mp-1203697
-2.970865
-0.966899
-4.891358
other
Cu4As28P4S28Cl4
68
14
1,858.58
mp-24617
10.419902
4.230263
-6.367784
other
Rb4Gd4H8S8O36
60
14
832.04
mp-1209794
7.3778
7.918213
-3.495104
other
Rb4Be4Co2O12F16
38
14
570.17
mp-1195455
9.040074
2.823874
-4.719525
other
Co4H52C8N16O36
116
14
1,053.7
mp-1202197
8.247242
0.778097
-4.524367
other
Sn2H28C8N4Cl8
50
14
695.42
mp-1204474
10.325724
4.429487
-5.325762
other
Zn2Cu4H8S4O16
34
14
377.06
mp-766584
9.759074
3.859338
-7.896948
other
Li12V4P4C4O28
52
14
546.25
mp-1212648
13.264378
9.043981
-0.799472
other
La4P8H8W12O24
56
14
1,028.98
mp-698367
8.1638
1.563457
-4.606129
other
Cr4H36C24S24O12
100
14
1,518.68
mp-1201806
8.084145
0.519384
-4.450322
other
Fe4H84C28S12N4
132
14
1,635.96
mp-562985
5.324565
3.228643
-4.362489
other
Co4Si4C16Cl12O16
52
14
1,207.38
mp-1198608
9.077756
8.035069
-5.5025
other
V8Zn4P12N4O60
88
14
1,298.73
mp-1199326
9.376937
2.248945
-1.899781
other
Sr4H16Ir4O8F24
56
14
711.89
mp-1213361
10.125142
9.579276
-2.076429
other
Fe8Te16Br4Cl4O40
72
14
1,248.96
mp-1200736
9.805391
5.954806
-3.615986
other
Rb4Na4B16H16O52
92
14
1,148.74
mp-1199390
9.682678
2.298024
-4.482003
other
Ag4H80S24N20O36
164
14
1,788.25
mp-1204299
11.539572
7.342633
-4.357097
other
Na8Gd4Mn4As8O36
60
14
796.46
mp-766699
9.541875
3.62714
-8.404913
other
Li12Fe4P4C4O28
52
14
537.57
mp-1194862
12.866191
6.801383
-5.018665
other
Sr4Zn6Te4P4O28
46
14
656.32
mp-684010
8.86861
1.366608
1.121023
other
K32Ti20P8O32F88
180
14
2,843.13
mp-1196577
8.331151
2.02123
-4.501577
other
Li12H36C12N24O12
96
14
981.05
mp-542902
10.426487
4.097091
-4.909663
other
K4Co2H24S4O28
62
14
679.61
mp-1197346
8.585037
2.496075
-1.730786
other
Sb4H8S4O12F28
56
14
827.03
mp-758659
6.404672
3.214846
-4.50727
other
H8Ru4C12Cl8O16
48
14
786.91
mp-1197777
10.635893
4.169111
-4.941287
other
Mn2Tl4H24S4O28
62
14
738.36
mp-1196007
8.228749
7.094291
-4.88789
other
Cu8Bi4Te4S4O40
60
14
825.63
mp-1200437
12.349074
6.519845
-0.620318
other
Ca8Zn12Si12Pb4O48
84
14
1,154.53
mp-555309
7.439294
3.735745
-3.862639
other
C4S16N8O12F12
52
14
845.7
mp-555952
8.124738
2.335799
-1.336006
other
Sb8Ru2C12O12F44
78
14
1,287.12
mp-1215161
4.856031
3.003319
-3.816197
other
Ag8C16S16N32Cl8
80
14
1,748.23
mp-733968
12.706716
5.405726
-5.675288
other
Ba4Ca4P8H8O32
56
14
699.5
mp-778840
11.700099
4.233329
-5.134916
other
In4P8H24N4O32
72
14
723.04