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-775192
9.940098
8.263648
-6.775425
other
V1Ni3P4O16
24
6
277.13
mp-1364429
10.791945
11.636297
-3.188374
other
V8Zn8Bi8O40
64
61
950.51
mp-1196757
8.050916
1.840143
-4.389599
other
H56C16S8N40
120
61
1,305.48
mp-560018
11.634282
11.06121
-3.771695
other
Gd8Cu8Mo16O64
96
61
1,527.6
mp-1266318
11.935765
7.079719
-1.82518
other
Li8Fe8Si16O48
80
61
1,047.05
mp-1196377
10.354012
7.831876
-6.839143
other
Ba8Fe12P16O72
108
61
1,571.39
mp-1042350
10.055635
9.535706
-0.681831
other
Zn8Bi8Sb8O40
64
61
912.04
mp-602511
8.576439
5.305179
-4.408802
other
Cr24H64N16O80
184
61
2,067.28
mp-558695
11.925651
6.692907
-1.744377
other
Ba16Mn16Si16O72
120
61
1,773.78
mp-24125
8.787907
7.043605
-4.483521
other
Ca8Cr8H16O40
72
61
853.09
mp-559831
-3.341241
-1.21978
-5.635918
other
Na24V8S16O16
64
61
1,260.89
mp-1350915
-0.624982
2.580096
-3.382137
other
K8Pt4I16O8
36
61
1,247.32
mp-703574
10.264826
4.562773
-5.978077
other
Ca8H16S16O64
104
61
1,277
mp-1200998
10.53705
4.103734
-3.849024
other
Ba8H32Pt4O32
76
61
813.45
mp-554193
10.380985
9.46244
-1.956396
other
Na8Ga8Te16O48
80
61
1,129.15
mp-1042627
11.76843
10.805501
-1.936715
other
Mg8Bi8Mo8O40
64
61
887.19
mp-1207680
11.519697
7.607174
-0.400905
other
Y8Ge8Bi8O40
64
61
935.18
mp-572456
8.348836
8.398345
-2.351069
other
Yb8Ge8Bi8O40
64
61
945.16
mp-1180419
5.639575
5.721279
-3.807075
other
Na8Ag8I16O24
56
61
1,509.79
mp-555912
11.673116
11.085772
-3.790276
other
Pr8Cu8Mo16O64
96
61
1,597.87
mp-1210611
10.43277
10.741345
-3.595207
other
Na16Mo8H16O32
72
61
1,275.46
mp-850862
10.519889
4.330297
-7.14278
other
Li16Cr8S16O64
104
61
1,244.75
mp-757866
11.964495
7.30286
-1.900138
other
Li8Mn8Si16O48
80
61
850.63
mp-849763
12.007208
7.591933
-7.766085
other
Li32Cr8P16O72
128
61
1,430.57
mp-1195356
6.80519
5.362216
-4.426558
other
Ge8Bi8N8O56
80
61
1,220.22
mp-765604
14.676981
7.858903
-5.524593
other
Li8Fe8P8O32
56
61
610.67
mp-1202310
0.834077
1.947161
-5.156572
other
Hf8Hg32P16Cl48
104
61
2,991.66
mp-1196212
9.992112
2.096655
-3.635471
other
Si4H24N8F24
60
61
506.69
mp-757570
11.92314
7.18009
-1.835237
other
Li8Fe8Si16O48
80
61
921.7
mp-23734
11.422602
4.198548
-4.603854
other
Mg8P8H56O56
128
61
1,112.06
mp-765354
9.677404
4.955797
-6.754218
other
Li16Co16S24O96
152
61
1,822.68
mp-1041491
13.500771
8.490784
-0.696818
other
Mg8Ti8Si16O48
80
61
891.11
mp-570252
0.833683
1.805718
-5.065832
other
U8Hg32As16Cl48
104
61
3,462.38
mp-1197197
9.036856
7.381062
-5.008623
other
Th8P16H16O64
104
61
1,638.02
mp-1041504
11.984955
7.170285
-1.464869
other
Zn8Cu8Si16O48
80
61
891.41
mp-1041879
13.812355
8.0838
-0.850686
other
Ca8V8Si16O48
80
61
1,008.6
mp-1196520
8.197708
7.230755
-4.648417
other
V8P8N8O48
72
61
1,274.41
mp-1200086
6.253654
0.133076
-3.263628
other
Rb24P24H40N8
96
61
1,962.66
mp-705037
13.654359
7.349638
-6.857535
other
Na32V8P16O72
128
61
1,685.65
mp-559128
8.864324
3.982837
-7.166528
other
Ca8Te8C8O40
64
61
859.08
mp-1196579
12.810237
6.301122
-0.844072
other
Cs16Cu8Si40O96
160
61
2,650.25
mp-1042779
6.566561
10.008892
-1.541999
other
Ca8Ni8Bi8O40
64
61
967.24
mp-696193
5.209126
2.583552
-3.947539
other
Ni8H16S32N32
88
61
1,489.53
mp-541431
12.595226
5.593061
-1.862354
other
Ca16Si8H16O40
80
61
953.75
mp-561523
1.854782
2.69467
-4.826991
other
Nb8Tl8Cl32O8
56
61
1,618.69
mp-721564
11.762462
4.496328
-3.732514
other
Na24Si8H40O48
120
61
1,229.89
mp-559109
11.45361
7.676244
-0.283889
other
Er8Ge8Bi8O40
64
61
918.23
mp-1204295
10.414641
4.172687
-4.901488
other
Mn8H48S8O56
120
61
1,261.16
mp-1041594
11.967428
6.938876
-1.353784
other
Ca8Cu8Si16O48
80
61
1,002.74
mp-706489
13.489875
4.243488
-2.588392
other
Na16B32H16O64
128
61
1,335.33
mp-1198019
8.187469
2.961838
-1.841208
other
Re8N16O32F64
120
61
1,550.26
mp-1198762
9.300797
7.122224
-3.626601
other
In8Se8Cl8O24
48
61
866.07
mp-1238070
10.024266
4.656679
-4.412607
other
In8As8H32O48
96
61
1,196.36
mp-1211800
9.170409
8.436329
-5.418824
other
K8V8P8O48
72
61
1,134.77
mp-562074
8.832601
8.432214
0.021972
other
Cs8K32Tl8O32
80
61
1,759.03
mp-600371
8.256086
1.146554
-4.452878
other
H64C24S8N16
112
61
1,141.56
mp-1042456
6.495541
9.938148
-1.4408
other
Zn8Cu8Bi8O40
64
61
761.22
mp-757604
13.05352
7.241431
-1.180545
other
Li8Cr8Si16O48
80
61
839.68
mp-1042624
10.794499
11.806021
-3.129683
other
Mg8V8Bi8O40
64
61
836.67
mp-662643
4.466798
2.879667
-4.211227
other
P32C16N48Cl80
176
61
4,064.57
mp-15126
13.210511
6.463727
-0.736954
other
Cs16Mn8Si40O96
160
61
2,730.22
mp-1042652
7.309664
10.742755
-1.536864
other
Mn8Zn8Bi8O40
64
61
873.56
mp-707023
8.167844
1.633752
-4.395418
other
H48C8N24Cl8
88
61
938.6
mp-1042363
7.170294
9.056752
-0.916946
other
Zn8Sn8Bi8O40
64
61
862.85
mp-773117
12.213138
6.383612
0.341512
other
La24Si16B8O80
128
61
1,721.65
mp-758806
6.547743
0.527949
-3.526261
other
B80P16H64Cl16
176
61
2,406.34
mp-850927
9.913595
4.76538
-6.887509
other
Li16Co8S16O64
104
61
1,179.43
mp-1041873
13.645277
8.622034
-0.826324
other
Mg8Si16W8O48
80
61
963.46
mp-1209734
9.570136
10.485987
-3.464957
other
Rb8Li8W8O40
64
61
1,131.2
mp-600167
8.630879
3.327088
-5.43747
other
Cu4H24C16O32
76
61
848.37
mp-1042056
12.479265
6.732359
-1.295482
other
Ca8Si16Ni8O48
80
61
1,004.62
mp-1196392
7.588775
0.466104
-4.147887
other
Li8B8H40N8
64
61
520.4
mp-1041852
12.369039
7.022481
-1.481894
other
Zn8Si16Ni8O48
80
61
890.95
mp-23806
11.733102
5.486877
-4.336357
other
Ba8As8H24O40
80
61
1,044.3
mp-698060
8.436354
2.466303
-1.521952
other
P8H8O8F16
40
61
579.97
mp-554492
11.658668
11.070222
-3.759054
other
Nd8Cu8Mo16O64
96
61
1,579.03
mp-1041887
12.495256
6.951118
-1.330047
other
Mg8Si16Ni8O48
80
61
879.96
mp-1195212
13.086721
6.353904
-0.845155
other
Rb16Si40Ni8O96
160
61
2,616.53
mp-1042360
9.934924
9.223511
-0.461271
other
Ca8Bi8Sb8O40
64
61
1,076.67
mp-646720
12.63087
9.144909
-7.072242
other
V16Cu8P16O80
120
61
1,403.97
mp-679984
1.733011
2.808211
-5.440934
other
Cs16Ru8Cl40O4
68
61
2,161.03
mp-1212999
8.98086
2.102949
-4.489795
other
H48C8N16O16
88
61
798.08
mp-628633
4.378202
3.12207
-4.016685
other
Se16S8N16Cl8
48
61
1,137.8
mp-1194807
8.655562
3.638621
-7.158076
other
Na16Ca8C16O48
88
61
1,111.83
mp-619577
13.84062
8.274159
-6.908327
other
K16V16P32O120
184
61
2,526.52
mp-1042661
6.804975
10.060979
-1.566414
other
Ca8Co8Bi8O40
64
61
980.61
mp-699453
11.487209
5.67413
-4.280395
other
Rb8As16H40O64
128
61
1,669.55
mp-581639
2.161723
2.465072
1.416864
other
Mg16B8N16Cl8
48
61
700.8
mp-1196844
13.761926
7.705001
-0.876553
other
Mg8Fe8Si16O48
80
61
841.4
mp-707571
11.122901
4.016271
-4.025417
other
Na24Si8H88O72
192
61
1,700.42
mp-707473
11.903634
4.67541
-4.977163
other
In8P8H32O48
96
61
920.61
mp-1201400
9.593006
4.863685
-6.378875
other
Ba8Si8S48O168
232
61
3,594.9
mp-1195268
10.685899
7.013804
-2.971468
other
Co8Bi16S8O56
88
61
1,216.43
mp-559493
2.455791
2.682455
-4.489606
other
Ti8P8Cl56O8
80
61
2,417.55
mp-560212
9.924562
4.911589
-6.99959
other
Li16Ni8S16O64
104
61
1,162.78
mp-558483
7.984355
6.93088
-2.500762
other
K32Li8I8O48
96
61
1,565.67
mp-1042632
7.17801
10.561019
-1.439844
other
Mg8Mn8Bi8O40
64
61
863.56
mp-757227
14.701011
7.910329
-5.948463
other
Li8Fe8P8O32
56
61
623.69
mp-569098
1.023878
2.561199
1.589618
other
Rb4Na44W16N48
112
61
1,817.46
mp-14948
11.683129
11.111717
-3.808484
other
Tb8Cu8Mo16O64
96
61
1,506.61