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-1204658
10.22783
3.14467
-3.933236
other
Mg4H64Cl8O32
108
61
1,225.39
mp-1042455
6.764267
9.210847
-1.689956
other
Ca8Ag8Bi8O40
64
61
992.26
mp-857350
14.274675
7.533294
-7.082843
other
Li8Mn8P8O32
56
61
638.59
mp-1042391
7.386014
9.297163
-0.550388
other
Mg8Ti8Bi8O40
64
61
838.84
mp-775156
11.386158
7.456785
-2.453914
other
Li8Mn8Si8O32
56
61
683.1
mp-608358
11.725893
7.224198
-6.116659
other
Cu8Ag8P8O32
56
61
701.68
mp-1204038
8.25641
1.132584
-4.447896
other
Ga16H48Br48N16
128
61
3,317.83
mp-629430
1.260455
2.323609
1.655455
other
Sr8Li16Cr8N24
56
61
712.39
mp-1196273
11.722
6.813374
-2.383436
other
Bi32B8P8O80
128
61
1,832.41
mp-1204994
7.445352
4.587907
-4.499361
other
H16Pd4N8O32
60
61
659.93
mp-556406
8.328076
2.440645
-1.350353
other
As8S16N8F80
112
61
1,881.58
mp-1042918
6.022324
9.929292
-1.677872
other
Zn8Fe8Bi8O40
64
61
847.32
mp-1042689
11.721334
10.693158
-1.369371
other
Ca8Bi8W8O40
64
61
1,070.68
mp-707536
9.179861
6.385558
-3.94359
other
K16H16Se16O64
112
61
1,766.86
mp-1041866
13.894303
8.167371
-0.873522
other
Mg8V8Si16O48
80
61
882.89
mp-1042364
10.622123
10.067898
1.870074
other
Ca8Ta8Bi8O40
64
61
1,072
mp-1182381
11.419463
4.42836
-4.711251
other
Mn8P8H56O56
128
61
1,190.88
mp-1042727
6.656082
10.130333
-1.577531
other
Zn8Co8Bi8O40
64
61
917.3
mp-1198007
13.80377
4.497718
-1.839774
other
La8B16O32F8
64
61
787.01
mp-1204033
-4.734603
-3.113502
-3.535964
other
La8Tl8Ge8Se32
56
61
1,644.22
mp-740722
11.118201
4.049652
-4.027766
other
Na24Ge8H88O72
192
61
1,768.54
mp-647549
7.797575
2.605026
-2.238368
other
C16Se16Cl48F48
128
61
2,976.38
mp-720853
11.644617
4.470919
-4.682336
other
Na16P8H40O48
112
61
1,168.94
mp-1209142
-3.203324
-1.096457
-5.214741
other
Tl8As40Pb8S72
128
61
3,338.77
mp-1042711
6.293393
9.999007
-1.532496
other
Ca8Fe8Bi8O40
64
61
980.5
mp-557108
10.462795
10.880322
2.120541
other
Ba8Nb8Te4O40
60
61
943.68
mp-759064
11.381122
7.573044
-2.315984
other
Li8Fe8Si8O32
56
61
694.96
mp-1851458
11.754168
10.731784
-1.957804
other
Ca8Bi8Mo8O40
64
61
1,001.37
mp-1196774
8.679395
9.659558
-3.859687
other
Th8V16Te8O96
128
61
1,979.52
mp-1198529
0.861214
1.984662
-5.141339
other
Hf8Hg32As16Cl48
104
61
3,265.32
mp-541857
11.816329
4.733229
-5.085333
other
Ga8P8H32O48
96
61
866.02
mp-1042837
6.229491
10.011229
-1.708206
other
Zn8Ni8Bi8O40
64
61
833.32
mp-1041488
13.571683
8.494069
-0.774876
other
Ti8Zn8Si16O48
80
61
904.81
mp-1194951
7.255482
0.259858
-4.108426
other
Y8B24H144N16
192
61
1,876.94
mp-559231
3.699618
3.024617
-3.99604
other
Se16S8N16Cl16
56
61
1,424.52
mp-765350
8.338592
6.806526
-3.83388
other
La8H8Se24O80
120
61
1,949.39
mp-1178011
10.368537
4.32397
-7.029415
other
Li16Fe16S24O96
152
61
1,880.44
mp-1041904
13.351798
6.977011
-0.804087
other
Ca8Mn8Si16O48
80
61
1,036.97
mp-567568
1.298164
2.14361
1.485469
other
Sr8Ca16W8N32
64
61
1,091.21
mp-23883
13.390315
4.481775
-2.669489
other
Be16B8H8O32
64
61
522.83
mp-776394
9.069736
11.731918
0.206865
other
Sr8Li32Ni8O32
80
61
886.68
mp-1042623
7.197077
10.375326
-1.4907
other
Ca8Mn8Bi8O40
64
61
980.19
mp-26579
14.863697
7.924157
-5.582407
other
Li8Cr8P8O32
56
61
623.13
mp-1042669
9.299616
10.959527
-2.367091
other
Ca8Cr8Bi8O40
64
61
985.22
mp-683956
7.820295
2.337742
-1.057173
other
Sb8S8N8F48
72
61
1,273.71
mp-1200882
13.613796
4.507042
-2.032715
other
Sr8Cd8B16O40
72
61
877.51
mp-1197911
7.876321
4.820293
-5.8282
other
Mg8P8C16O48
80
61
1,073.08
mp-560755
10.850485
11.634632
-2.903799
other
Ca8V8Bi8O40
64
61
995.67
mp-1214858
1.184197
2.044138
1.443734
other
Ba16Ca8Mo8N32
64
61
1,260.37
mp-1211940
9.462153
10.428771
-3.476962
other
K8Li8W8O40
64
61
1,076.04
mp-1020860
12.994576
6.258862
-0.59736
other
Rb16Mg8Si40O96
160
61
2,608.93
mp-1202549
1.683817
2.814467
-5.455522
other
Cs16Os8Cl40O4
68
61
2,161.79
mp-1042367
7.575166
9.226571
-0.579619
other
Ca8Ti8Bi8O40
64
61
1,016.06
mp-771295
15.303295
5.763083
-2.289399
other
Li8Mn8B8O24
48
61
457.64
mp-1202609
7.980275
0.383596
-4.437145
other
P8H88C32Cl16
144
61
1,898.37
mp-582587
7.849942
0.367877
-4.50935
other
Sb8H48C16I8
80
61
1,372.76
mp-601287
8.35943
3.281626
-5.447286
other
Cu8H16C16O32
72
61
941.4
mp-1200803
7.003334
4.745561
-4.854856
other
Zn8H16N16O56
96
61
1,136.79
mp-831186
10.598378
4.573669
-6.878709
other
Li16V16S24O96
152
61
1,907.77
mp-1195102
-2.65249
-0.534317
-5.531105
other
Rb8Ag40P16S64
128
61
2,944.42
mp-1196416
10.090596
7.180146
-2.215627
other
Eu24Si16B8O80
128
61
1,637.11
mp-558437
11.747332
11.101117
-3.764978
other
Ho8Cu8Mo16O64
96
61
1,482.87
mp-1042359
10.706724
10.277529
1.689277
other
Mg8Ta8Bi8O40
64
61
888.85
mp-23784
8.223289
1.261883
-3.95653
other
Na8B8H64O16
96
61
858.52
mp-560666
-4.437416
-1.965767
-3.425148
other
K32Nb16Se88O8
144
61
4,398.44
mp-1042412
7.015331
8.98742
-0.792204
other
Ca8Sn8Bi8O40
64
61
926.52
mp-1042682
6.738425
10.149112
-1.548619
other
Mg8Co8Bi8O40
64
61
861.16
mp-543041
10.920753
5.387433
-4.82577
other
Fe8As8H32O48
96
61
965.57
mp-1201872
8.819603
4.851239
-3.89294
other
K8H32O32F8
80
61
857.48
mp-1211848
9.31531
10.334785
-3.808511
other
K8Li8Mo8O40
64
61
949.02
mp-1181965
8.990913
5.814248
-6.518618
other
Cs8V8S8O48
72
61
1,300.3
mp-1041922
13.630955
7.349303
-0.831691
other
Ca8Fe8Si16O48
80
61
1,026.95
mp-1042696
9.375056
11.016973
-2.44864
other
Zn8Cr8Bi8O40
64
61
869.98
mp-556040
8.8369
5.026259
-5.59441
other
Ca8S16Cl16O48
88
61
1,730.07
mp-757590
14.116237
7.217867
-5.296198
other
Li8Sn8P8O32
56
61
774.16
mp-709325
11.898496
6.696755
-2.121758
other
Cu20Si16H8O56
100
61
1,193.36
mp-704145
10.090351
4.530016
-7.318643
other
Li16Mn16S24O96
152
61
1,927.24
mp-603572
10.416416
5.30126
-4.18359
other
Na16Mo8H32O48
104
61
1,359.65
mp-1204623
13.033205
6.212404
-6.643484
other
Na16Zn16P48O144
224
61
3,035.66
mp-1200713
0.891178
1.917372
-5.17762
other
Zr8Hg32P16Cl48
104
61
2,997.63
mp-561060
8.570086
7.746969
-3.677932
other
K8Mo8I8O48
72
61
1,187.4
mp-558432
11.860918
6.032789
-5.628465
other
Na24P8S16O16
64
61
1,195.89
mp-706053
9.98355
2.603142
-4.241573
other
H64N16O16F16
112
61
884.7
mp-703468
11.7498
4.499043
-3.700755
other
Na24Si8H40O48
120
61
1,229.77
mp-1001112
8.919537
4.193918
-5.418262
other
Na16H24C8O48
96
61
1,002.54
mp-540624
8.4819
5.977522
-3.867237
other
Ni4H16I8O32
60
61
778.95
mp-15481
11.70598
11.071541
-3.750518
other
Dy8Cu8Mo16O64
96
61
1,495.6
mp-721279
9.998346
3.570809
-4.922194
other
H24S8N8O24
64
61
624.46
mp-1198167
10.451994
3.660018
-4.234843
other
Na16H112C8O80
216
61
2,009.63
mp-1203800
10.759176
5.000963
-4.186748
other
Na16H32W8O48
104
61
1,301.98
mp-1041840
12.826159
6.914032
-1.143028
other
Mg8Co8Si16O48
80
61
883.67
mp-1204616
9.361588
10.292132
-3.860606
other
Rb8Li8Mo8O40
64
61
1,140.17
mp-1200038
5.963933
5.767787
-3.678804
other
Na8Ag8I16O24
56
61
1,514.24
mp-1201361
7.356403
0.383713
-3.848229
other
Cs8B48H120N24
200
61
2,241.43
mp-554888
7.604373
6.644648
-3.203476
other
K8U8I24O88
128
61
2,248.66
mp-600366
8.179209
1.167083
-4.46735
other
H64C24Se8N16
112
61
1,177.6
mp-24355
8.590028
1.271799
-3.885164
other
K16Be16H96N48
176
61
1,965.36
mp-726274
8.103751
5.669295
-5.286469
other
Y8B8C8O56
80
61
1,126.53
mp-1203864
12.446528
6.144737
-5.554918
other
B8P24Pb24O96
152
61
2,210.73
mp-1041480
13.434703
7.676387
-0.713575
other
Mg8Si16Sn8O48
80
61
978.54