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-1203440
10.46233
4.293242
-7.021468
other
Li4Zn4S4O16F4
32
62
365.52
mp-1204986
8.730708
1.279048
-4.218464
other
Cr4H40N8Cl20O4
76
62
1,006.16
mp-728170
3.914452
2.432833
-5.312456
other
Rb8Cr4H8Cl20O4
44
62
1,026.55
mp-1214824
8.218148
9.976814
1.864684
other
Ba8Er8Cu4Pt4O32
56
62
791.18
mp-849787
12.203892
5.036517
-5.271235
other
K8Mn4P16H32O64
124
62
1,507.64
mp-1182699
4.744235
4.115801
-4.201099
other
Co8C4N36Cl16O24
88
62
2,067.87
mp-555433
7.787264
5.491136
-5.543886
other
Na4Yb4C4O12F8
32
62
431.86
mp-697969
9.54842
4.742885
-6.152728
other
Rb8Cu12H8S12O56
96
62
1,526.22
mp-672333
4.7413
2.712742
-3.701944
other
Pb4C4S4N4Cl4
20
62
436.09
mp-648469
3.154138
2.909551
-4.228448
other
Sb4P8S4N12Cl40
68
62
1,913.87
mp-541023
13.68395
7.828551
-1.411314
other
Ca4Fe12Si8H4O36
64
62
694.37
mp-758168
9.5452
6.697357
-3.768675
other
Na4Zn8H4Se8O28
52
62
710.23
mp-1197533
10.09825
1.453133
-2.012043
other
Li4Mn4H8O4F16
36
62
374.35
mp-1214855
8.217025
10.112973
1.794855
other
Ba8Lu8Cu4Pt4O32
56
62
779.5
mp-510467
4.060324
2.410913
-5.196913
other
K8Cr4H8Cl20O4
44
62
979.5
mp-1205231
7.710044
7.200014
-4.248756
other
U4C8Se8N8O48
76
62
1,632.29
mp-1195662
11.49921
7.466282
-4.619176
other
Cd4Co4As4H4O20
36
62
421.13
mp-776062
14.832592
7.824995
-5.848284
other
Li16Fe8P8O32F8
72
62
769.11
mp-1198916
7.930926
0.208316
-4.508123
other
K4Si8H56C16N4
88
62
1,130.86
mp-734123
12.170681
4.96312
-5.21158
other
Rb4Sr4P12H24O48
92
62
1,186.74
mp-706976
10.221297
2.517257
-4.223907
other
P4H16N4O8F8
40
62
430.18
mp-762311
9.000622
1.854696
-4.245338
other
Zn4H48N16Cl16O12
96
62
1,213.66
mp-1214966
2.838452
2.939687
-4.002293
other
Co4Pt4Br16N20Cl4
48
62
1,586.3
mp-765147
8.637463
1.255088
-4.166726
other
Cr8H84I28N24O12
156
62
2,664.07
mp-744434
10.563839
4.352204
-5.612494
other
Y4Ni4H12S4O28
52
62
532.85
mp-1182644
7.471763
6.52207
-4.528258
other
Np4Co4S8N24O48
88
62
1,459.25
mp-541361
2.244868
2.895389
-4.99322
other
K8Ru4N4Cl20O4
40
62
1,018.78
mp-1211787
2.77977
2.943471
-4.069583
other
Pt4Rh4Br16N20Cl4
48
62
1,233.62
mp-1043455
12.363574
6.824739
-6.742819
other
Ca4Ni4Sn4P8O36
56
62
735.51
mp-558160
8.783749
3.488452
-6.820091
other
Na4Y4C4O12F8
32
62
419.82
mp-1214697
7.022782
10.145753
0.324585
other
Ba8Yb8Cu4Pt4O32
56
62
779.96
mp-1196313
8.721719
2.071891
-1.297182
other
Fe4As8H12O4F52
80
62
1,112.73
mp-1325511
10.427711
7.621091
-6.538448
other
Zn4Ni4Bi4P8O36
56
62
744.06
mp-1195617
13.785944
4.117738
-2.339372
other
Rb4Na8B24Br4O40
80
62
1,060.9
mp-559882
4.50256
2.836418
-3.701017
other
Hg4C4S4N4Cl4
20
62
494.44
mp-1198849
11.527488
4.839135
-5.0283
other
Zn8Co4P8H32O48
100
62
1,020.74
mp-1195498
10.594607
12.167545
-3.71884
other
Ba8V8Cu4Br4O32
56
62
929.61
mp-1043551
12.750915
6.978514
-6.54317
other
Ca4Ni4Sb4P8O36
56
62
727.59
mp-1327705
11.411242
7.630427
-7.32018
other
Ca4Cr4Ni4P8O36
56
62
688.34
mp-776636
10.012973
4.489457
-4.36144
other
Co8H40Se8Cl8O40
104
62
1,215.07
mp-1215072
7.939465
6.684406
-4.998438
other
Al8H4Pb4C8O40
64
62
862.62
mp-766487
8.795711
3.740879
-7.405197
other
Li4Cr4C4O12F8
32
62
345.7
mp-1196906
5.499531
4.051875
-4.225642
other
Co4S8N20Cl4O16
52
62
1,026.26
mp-2646941
8.361176
0.920642
-4.491439
other
Sn4H24C4Br12N4
48
62
844.07
mp-1203543
3.11948
2.863734
-3.812087
other
Cr4Pd4Br16N20Cl4
48
62
1,307.27
mp-1363650
10.940227
7.458948
-6.696619
other
Ca4Ni4Bi4P8O36
56
62
765.73
mp-1199018
-3.585561
-2.284188
-5.42523
other
Ba16Cr4Ga8S24F16
68
62
1,550.06
mp-1043125
10.643755
7.871222
-7.275242
other
Ca4Mn4Ni4P8O36
56
62
678.01
mp-505771
9.131992
3.488926
-5.983336
other
K8Na4H20C8O32
72
62
875.95
mp-766966
4.042033
2.519474
-5.33605
other
K8In4H8Cl20O4
44
62
1,045.51
mp-707771
5.496116
3.223951
-4.591608
other
H12Ru12C40Cl4O36
104
62
1,724.07
mp-1043130
10.175152
7.89964
-6.5854
other
Ca4Fe4Ni4P8O36
56
62
685.75
mp-1232356
7.76137
1.103363
-4.418669
other
H12Pb4C4I12N8
40
62
998.33
mp-720287
10.480538
3.47079
-4.130673
other
Na12As4H88S8O52
164
62
1,753.44
mp-1204146
6.610684
5.077842
-4.329631
other
H4Xe4N4O12F8
32
62
554.73
mp-24008
4.437204
2.53507
-5.263456
other
K8Fe4H8Cl20O4
44
62
988.22
mp-559309
6.162304
4.705598
-5.067968
other
K12Zn4N4Cl16O12
48
62
1,067.96
mp-1214799
8.730693
5.168958
-5.228049
other
Ba4H8Se4S16O24
56
62
1,258.56
mp-558687
8.203505
2.652534
-2.002939
other
As4C8S8O12F36
68
62
1,036.57
mp-1096963
8.208317
0.708241
-4.366483
other
Cu4H24C4I12N4
48
62
856.8
mp-556146
5.259628
2.65546
-3.270504
other
Sn4C4S4N4F4
20
62
427.62
mp-1200389
14.29334
8.197568
-5.043425
other
Fe28Sb12P12Cl12O72
136
62
2,071.48
mp-1202077
10.65614
6.350521
-4.409122
other
Fe4Mo8H16N4O32
64
62
784.6
mp-1200798
5.957782
5.033452
-3.948654
other
Rh4W4N20Cl4O16
48
62
941.16
mp-703299
2.521959
3.110507
-4.759296
other
K8H8Rh4Cl20O4
44
62
1,149.63
mp-559648
7.806945
2.572169
-2.361929
other
K4B4C16N4F36
64
62
921.81
mp-695948
9.637916
2.023177
-4.356709
other
P12H48S12N12O24
108
62
1,330.37
mp-1194604
8.104492
0.704166
-4.409191
other
H24Pb4C4I12N4
48
62
1,020.63
mp-1208735
9.577439
3.443977
-5.806501
other
Sr4Al8H24C8O44
88
62
838.17
mp-1192535
6.337789
5.619047
-4.5634
other
Hg4S4N4Cl4O12
28
62
604.67
mp-600165
8.298435
0.689311
-4.448758
other
Fe4H96C32N8Cl16
156
62
1,797.77
mp-558972
7.864302
2.565911
-2.249382
other
K4B4C16N4F36
64
62
1,001.15
mp-1202709
4.265922
2.489234
-4.994692
other
K8Sn4H8Cl16O4
40
62
945.92
mp-728273
8.836694
1.342758
-4.157997
other
Cr4H56N16Cl12O4
92
62
910.33
mp-559629
9.314017
1.540058
-4.104877
other
Fe4H48C8N8F20
88
62
789.7
mp-558938
11.478459
7.530896
-2.164001
other
Zn16Si4Te4Pb4O40
68
62
882.65
mp-1333743
10.823582
7.996805
-7.523536
other
Mn4Zn4Ni4P8O36
56
62
641.63
mp-734495
11.071069
11.62941
-3.331849
other
V4Zn4H4Pb4O20
36
62
433.05
mp-770515
8.146116
4.781746
-6.801404
other
Li8Co4C8S2O32
54
70
599.07
mp-779515
8.961821
3.810857
-7.191061
other
Na8Bi4C8S2O32
54
70
803.33
mp-1196739
9.066572
1.604661
-0.214387
other
K8Sn4H8O4F24
48
70
759.9
mp-769713
12.887942
5.127114
-4.066217
other
Na8B8Sb4S2O32
54
70
701.13
mp-850995
8.871302
3.73662
-7.416635
other
Na8V4C8S2O32
54
70
692.77
mp-770736
8.518877
4.265778
-7.142481
other
Na8Cr4As2C8O32
54
70
692.04
mp-778481
8.192566
4.907303
-6.693748
other
Li8Ni4C8S2O32
54
70
606.36
mp-781108
8.166185
4.771893
-6.987271
other
Na8Mn4As2C8O32
54
70
711.14
mp-778673
8.347647
4.735702
-7.217917
other
Na8Fe4P2C8O32
54
70
688.04
mp-768959
9.079966
3.751249
-7.40036
other
Na8Sb4C8S2O32
54
70
786.34
mp-782641
8.615886
3.962539
-7.513867
other
Na8V4P2C8O32
54
70
699.34
mp-776330
8.261764
4.673537
-6.835717
other
Li8Cu4C8S2O32
54
70
581.08
mp-771992
8.12963
5.175148
-6.501782
other
Na4Fe4C8S2O32
50
70
683.9
mp-776358
8.235214
4.3779
-7.199675
other
Li8Mn4C8S2O32
54
70
607.85
mp-554005
8.605487
3.593757
-6.843197
other
K4Gd4C4O12F8
32
70
441.78
mp-780892
8.308125
4.681372
-7.117043
other
Na8Fe4As2C8O32
54
70
699.68
mp-771912
8.62362
3.915147
-7.271405
other
Li8Cr4C8S2O32
54
70
601.39
mp-769047
8.841084
3.964099
-7.144292
other
Na8Bi4As2C8O32
54
70
826.93
mp-1199318
5.63508
3.364696
-4.666474
other
Co8Sn4C32Se4O32
80
70
1,555.26
mp-775782
9.061021
3.761322
-7.382521
other
Na8Sn4C8S2O32
54
70
740.26
mp-779878
8.847458
3.977527
-7.145411
other
Na8Bi4P2C8O32
54
70
809.34
mp-777623
8.369801
4.414902
-7.054563
other
Na8Mn4C8S2O32
54
70
691.64