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-1192590
11.757172
7.202566
-3.564994
other
K4Ba4As4O16
28
62
497.98
mp-1214620
-4.974797
-6.079751
0.739651
other
Ba20Na4Ga8Sb24
56
62
2,013.51
mp-1182493
10.140847
7.008178
-3.121481
other
Ca4V4Si16O60
84
62
1,371.32
mp-1210117
12.326796
6.465265
0.178438
other
Na4Lu4Si4O16
28
62
360.85
mp-762049
14.232656
7.396245
-5.164056
other
Li4Cu8P4O16
32
62
357.7
mp-704436
12.481205
8.399905
-5.75997
other
Mo12P20Pb12O92
136
62
1,923.07
mp-1239134
-4.919181
-0.506225
-5.510424
other
Zr4Cr4Cu4S16
28
62
519.4
mp-775216
10.706991
10.988186
-3.442781
other
Li4V4Te4O20
32
62
440.32
mp-1290528
11.31196
12.823221
0.424748
other
Li8Ti4Fe4O16
32
62
309.6
mp-1019727
10.299189
7.757899
-1.477327
other
Na4Eu4Ge4O16
28
62
422.01
mp-759726
13.427879
7.586456
-0.786114
other
Li8Mn4Si4O16
32
62
353.8
mp-1049213
13.728173
6.678076
-5.604268
other
Ca4Sn8P8O36
56
62
860.41
mp-510370
9.043672
0.496662
1.115622
other
Cs4Al4Cu4F24
36
62
534.48
mp-17921
8.343195
2.120451
-0.73247
other
Nb4Se4O4F28
40
62
609.34
mp-707471
7.681983
1.158872
-4.233865
other
Zn4H48I8N16
76
62
1,187.31
mp-1199216
-3.860616
-1.776657
-5.35661
other
Cs8Zn4Bi8S20
40
62
1,202.44
mp-780337
14.78905
8.12818
-4.936044
other
Li4Cr16P12O48
80
62
1,040.24
mp-1202879
9.523127
7.002875
-3.616939
other
Na4Ga4Se8O24
40
62
546.23
mp-554429
13.730758
8.222111
-1.375275
other
Mn12Si4O16F8
40
62
503.41
mp-766039
13.585199
7.997286
-0.89959
other
Li12V4Si8O28
52
62
566.05
mp-1210634
12.644681
6.045499
-2.988933
other
Mg4Fe4B4O16
28
62
277.81
mp-766923
13.854142
8.678623
-1.044323
other
Li4V4Si4O16
28
62
289.99
mp-1219036
11.124934
9.124878
3.50228
other
Sm4Zr4N4O8
20
62
277.41
mp-557263
8.68117
2.345424
-4.510246
other
H24C4N8O12
48
62
465.09
mp-9018
13.039075
6.119372
-6.343857
other
Li4Cd4P4O16
28
62
338.99
mp-643356
10.001414
3.28218
-3.721746
other
Sr4H8Br8O4
24
62
470.03
mp-1210843
10.176188
1.731851
-3.726066
other
Mn4H16N4F12
36
62
316.88
mp-639138
8.562444
7.057063
-3.803896
other
Eu4Se4Cl4O12
24
62
486.05
mp-1211749
11.82375
11.320091
-2.034838
other
Li4Mg12W12O48
76
62
973.31
mp-734845
8.327969
1.847725
-0.269476
other
K12Ta4O8F28
52
62
995.45
mp-770517
9.157044
12.181266
0.063489
other
Li36Al4Ni8O32
80
62
757.18
mp-1204726
-2.972299
-1.626083
-5.461767
other
Ba12Ga4S16Br4
36
62
1,040.52
mp-1201709
3.192914
3.15871
-3.921869
other
Fe4N8Cl20O4
36
62
849.2
mp-1201444
4.790246
4.279207
-4.077624
other
Cr4N24Cl8O8
44
62
777.11
mp-1180277
3.958469
3.894275
-4.214628
other
Na4Au4Cl16O8
32
62
1,146.52
mp-1213412
-5.197649
-4.450131
6.000652
other
Gd16Si8Ni8Bi4
36
62
804.84
mp-1214083
12.435057
8.13072
0.212293
other
Ca12Si4O16F4
36
62
506.48
mp-758516
13.827644
7.83115
-0.894526
other
Li8Fe8Si12O36
64
62
751.3
mp-18560
14.122519
7.051362
-5.462748
other
Np4P4O16F4
28
62
389.41
mp-1193559
8.035534
6.606785
-5.007606
other
Rb4S4N4O16
28
62
523.92
mp-1194656
10.929797
11.078712
-0.226953
other
Mn4Pb8W4O24
40
62
572.81
mp-1212614
8.684149
1.114162
-4.120595
other
H48Pb4N12Cl20
84
62
1,113.61
mp-1201600
-4.654146
-2.801929
-3.811846
other
In8Bi4Se16I4
32
62
1,029.28
mp-1203051
8.49896
0.787334
1.381101
other
K20Li8Eu4F40
72
62
1,152.96
mp-1221054
8.454453
12.843498
-0.598357
other
Na4Fe4Ru4O16
28
62
309.81
mp-1043461
9.774691
7.866656
-6.11091
other
Ni4Sb4P8O36
52
62
709.5
mp-510579
2.56709
-0.467467
-1.64957
other
Pr4Ni4Sn4H4
16
62
274.52
mp-720847
8.287584
1.529503
-4.544109
other
B12H24N12Cl24
72
62
1,061.25
mp-1013850
14.000134
9.043431
-6.912465
other
Li4V8P8O36
56
62
686.11
mp-1204015
12.749253
7.528737
-1.658421
other
Ca4Fe12Si8O36
60
62
1,106.01
mp-1195473
8.256639
1.969779
-0.619062
other
K4Mn4As12F72
92
62
1,528.32
mp-733613
8.606899
1.188686
-4.113122
other
H48Au8Br8N16
80
62
1,090.48
mp-765643
11.528407
7.938943
-7.638039
other
Li8Fe8P8O36
60
62
694.86
mp-556659
10.326371
8.85866
3.066265
other
La12Ti4Cl20O16
52
62
1,024.74
mp-1190656
-3.266004
-2.349759
-5.647083
other
Sm4Eu4Cu4S12
24
62
534.63
mp-754861
13.19256
7.527136
-3.336782
other
Li4V4B4O16
28
62
268.78
mp-653586
4.715402
2.833985
-3.98557
other
Cu4S16N16Cl8
44
62
891.76
mp-1188861
4.789318
2.730362
-3.589229
other
Li4C4S4N4
16
62
254.6
mp-1222111
12.915265
7.387926
-1.181289
other
Mg4Co4Si4O16
28
62
302.08
mp-752951
10.149963
8.231062
-2.929354
other
Li4Co4Si4O16
28
62
280.86
mp-1194994
8.235551
1.964957
-0.592197
other
K4Zn4As12F72
92
62
1,484.52
mp-1193252
-2.470181
-0.565244
-5.410123
other
Rb4P4Pb4S16
28
62
782.27
mp-650518
7.740806
11.569596
1.119104
other
Ca16Y4Fe20O52
92
62
1,170.44
mp-723044
8.716946
1.131199
-4.145714
other
Zn4H48N12Cl20
84
62
1,111.7
mp-774444
13.466807
7.178521
-0.926947
other
Li8Mn12Si16O48
84
62
1,123.3
mp-1182106
7.0725
5.145973
-3.702717
other
Fe4H8Cl20O12
44
62
949.21
mp-1196201
13.816819
5.721498
-1.489982
other
Eu20B12O36F4
72
62
1,010.21
mp-1197895
6.550556
4.692254
-4.618516
other
Mo8C20N12O56
96
62
2,212.33
mp-601716
-4.513636
-1.116954
-4.74637
other
Fe4Bi4Sb4S16
28
62
585.91
mp-643069
9.91335
3.718508
-3.887738
other
Li8H4I4O4
20
62
395.76
mp-1213417
1.350355
2.233859
-4.095247
other
Cs4Nb12V4Cl44
64
62
1,651.05
mp-1203626
4.142669
4.127654
-4.119222
other
Li4Zn4Cl12O12
32
62
769.93
mp-554887
11.205008
9.828349
1.737023
other
K8U8Nb8O48
72
62
1,090.26
mp-1202647
-2.755805
-2.231309
-5.513083
other
La8Sb4S20Br4
36
62
896.47
mp-26695
14.289071
7.174914
-5.907663
other
Li8Cu4P4O16
32
62
344.39
mp-1200935
-5.878502
-3.69706
-1.797182
other
Ba8Ga4Sb4Te20
36
62
1,337.23
mp-1239247
-4.844121
-0.518354
-5.642649
other
Hf4Cr4Ag4S16
28
62
538.68
mp-1327704
12.465289
6.556382
-5.458286
other
Mg4Bi8P8O36
56
62
762.39
mp-21611
8.927277
0.757668
0.733739
other
Na8In4Cu4F28
44
62
618.83
mp-1214065
11.830091
8.530966
0.840851
other
Ca12Ge4O16F4
36
62
539.31
mp-554275
10.816624
11.615419
-2.891545
other
Na16V4H4O20
44
62
579.45
mp-1199883
1.749048
2.754645
-5.446447
other
Rb8Fe4Cl20O4
36
62
1,083.14
mp-558516
9.67256
6.847135
-3.351414
other
Tm4Se4Cl4O12
24
62
440.67
mp-557463
12.795856
6.11481
-0.516014
other
Na12Sc4Si8O28
52
62
675.96
mp-1019895
10.590478
8.286327
3.007193
other
La12B4N8O12
36
62
523.83
mp-1199452
8.149501
2.290957
-1.275582
other
Zn4B8N16F32
60
62
1,071.5
mp-561383
8.108884
9.138786
-3.243124
other
Cs4Os4N4O12
24
62
534.11
mp-1204050
4.891099
2.882667
-3.556779
other
Co4C32N8Cl16
60
62
1,721.19
mp-1043619
7.999528
7.95718
-4.01686
other
Fe4Ni4P8O36
52
62
688.98
mp-859087
14.523298
7.592818
-6.829362
other
Li4Mn4P4O16
28
62
322.08
mp-1218227
-4.404101
-3.738024
-3.932451
other
Sr4La4Cu4Se12
24
62
611.32
mp-866650
2.698075
2.276809
1.77903
other
La8Si16C4N24
52
62
654.46
mp-1210482
-4.226652
-4.001159
-3.887257
other
Pr8In4Cu4Se20
36
62
876.87
mp-1366002
6.380817
10.377125
0.17166
other
Ba12Y16Co12O60
100
62
1,471.94
mp-1204886
2.589837
2.906016
-4.146799
other
Mo4N8Cl20O4
36
62
1,027.64
mp-23930
8.168386
1.74431
-4.468107
other
H16C4S4N8
32
62
394.59
mp-25422
14.750957
8.648291
-3.649208
other
Li4V4P4O16
28
62
306.86
mp-624191
-3.950238
-1.816026
-5.518321
other
Cu4Bi4Pb4S12
24
62
546.07
mp-1191171
4.952451
3.207039
-4.067696
other
C4S4N8O8
24
62
594.66
mp-570445
1.366103
2.220376
-4.054928
other
Rb4Nb12V4Cl44
64
62
1,623.77