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-1042499
7.11972
8.924791
-2.062102
other
Ca8Cu8Bi8O40
64
61
1,000.37
mp-735547
10.610794
4.697604
-4.616329
other
Mn8P8H56O56
128
61
1,472.26
mp-559711
10.552283
7.752463
-0.17637
other
Rb16Na16Si8O32
72
61
1,237.17
mp-667369
10.531714
10.375568
3.600433
other
Ca16Zr40Ti16O128
200
61
2,436.18
mp-1199340
11.660935
7.132103
-3.318652
other
Mg8Bi32P16O96
152
61
2,138.19
mp-759356
8.237669
1.141155
-4.3799
other
Al8H24N8Cl24
64
61
1,236.44
mp-1196660
13.274326
4.394851
-2.684783
other
B40H32N8O64
144
61
1,399.15
mp-1041868
13.650658
7.591635
-0.89696
other
Zn8Fe8Si16O48
80
61
905.59
mp-1212602
11.629317
11.042739
-3.700868
other
La8Cu8Mo16O64
96
61
1,431.36
mp-1042413
10.776919
10.430771
1.559752
other
Ta8Zn8Bi8O40
64
61
922.93
mp-1200773
7.018747
0.107127
-3.962674
other
Li16B16H72N8
112
61
963.83
mp-1041845
13.495333
7.24873
-0.783563
other
Mg8Mn8Si16O48
80
61
905.83
mp-757449
12.023255
7.255079
-1.845513
other
Li8Fe8Si16O48
80
61
856.2
mp-857362
14.270856
7.550501
-7.034352
other
Li8Mn8P8O32
56
61
630.99
mp-558333
10.617218
7.769331
3.090525
other
Nd32Ga16S40O32
120
61
2,482.53
mp-510709
11.630358
5.385326
-4.373359
other
Sr8As8H24O40
80
61
935.41
mp-1042759
11.523436
10.837907
-1.789413
other
Mg8Bi8W8O40
64
61
958.14
mp-1199688
9.275804
8.43646
-5.497205
other
Rb8V8P8O48
72
61
1,231.88
mp-1042404
6.669788
9.284504
-1.662589
other
Mg8Ag8Bi8O40
64
61
842.81
mp-1196288
8.195438
4.882035
-3.981833
other
Na8H32Cl8O48
96
61
1,185.25
mp-23685
8.563496
3.25029
-5.74947
other
Ca8H16C16O32
72
61
899.45
mp-559028
11.697276
11.082913
-3.750656
other
Y8Cu8Mo16O64
96
61
1,499.45
mp-13500
12.332817
6.305347
0.143494
other
Sm24Si16B8O80
128
61
1,601.43
mp-707987
8.560191
4.903427
-4.011894
other
Cu4H32Cl8O40
84
61
916.09
mp-1200581
13.715281
4.635957
-2.441437
other
Bi16B24H8O64
112
61
1,382.3
mp-757595
9.944207
3.678334
-4.854809
other
H24S8N8O24
64
61
660.34
mp-553910
10.71836
11.745289
-3.427398
other
K4V16Ag44O64
128
61
1,955.76
mp-1214597
1.273234
2.127089
1.431923
other
Ba8Ca16W8N32
64
61
1,141.92
mp-556373
10.162313
9.617698
-2.0041
other
Na8Fe8Te16O48
80
61
1,150.17
mp-769274
11.831594
7.398082
-7.257484
other
Li8Cu8P8O32
56
61
609.38
mp-24359
11.197953
4.475266
-4.338294
other
Ca8As8H56O56
128
61
1,372.14
mp-1195891
11.459785
5.162768
-4.697876
other
Ga8As8H32O48
96
61
971.41
mp-757749
10.461389
8.127662
-6.965245
other
Li16Mn8P16O64
104
61
1,093.05
mp-655052
8.469125
3.213587
-5.599229
other
Cu8H16C16O32
72
61
863.01
mp-653096
3.737919
3.028147
-4.009839
other
Se16S8N16Cl16
56
61
1,374.94
mp-1080284
12.99179
6.246397
-0.631701
other
Rb16Mg8Si40O96
160
61
2,571.45
mp-707324
8.787113
1.348295
-4.133788
other
P8H48S8N24
88
61
971.01
mp-1201042
8.435101
3.476745
-5.668637
other
Cu8H16C16O32
72
61
824.47
mp-729006
11.374828
11.118494
-3.950147
other
Li8La8Mo16O64
96
61
1,415.91
mp-24640
10.203376
4.563342
-6.044252
other
Er8H24S24O96
152
61
1,953.39
mp-510510
10.996379
5.315711
-5.210814
other
Fe8P8H32O48
96
61
906.48
mp-1203437
9.038344
6.714134
-3.970155
other
Gd8H8Se16O64
96
61
1,247.82
mp-765346
13.639606
7.806197
-1.050465
other
Li8V8Si16O48
80
61
861.08
mp-757419
13.598495
7.863374
-0.730951
other
Li8Ti8Si16O48
80
61
849.85
mp-24160
9.615947
1.903069
-3.614685
other
B8H24N8F24
64
61
611
mp-1204762
-4.393547
-2.547159
-3.165568
other
Cs16Th16P16Se104
152
61
5,004.61
mp-1214991
12.882422
6.245306
-0.7118
other
Cs16Zn8Si40O96
160
61
2,695.84
mp-762220
11.696059
7.370554
-7.272773
other
Li8Cu8P8O32
56
61
640.26
mp-1204887
8.336614
1.886453
-0.287914
other
K16Hf8O16F40
80
61
1,401.6
mp-757582
10.637836
7.995979
-6.892141
other
Li32Fe8P16O72
128
61
1,444.07
mp-757264
14.780193
8.639225
-3.915413
other
Li8V8P8O32
56
61
643.1
mp-1041874
13.933186
8.229459
-0.936566
other
V8Zn8Si16O48
80
61
897.06
mp-775950
9.066264
12.014114
0.101973
other
Li32Ca8Ni8O32
80
61
836.67
mp-1042698
11.710378
10.642123
-2.072802
other
Zn8Bi8Mo8O40
64
61
893.99
mp-6407
8.137781
2.064308
-0.794958
other
Sb32Te16Se32F160
240
61
4,858.62
mp-1041912
12.677215
6.634459
-1.185937
other
Ca8Co8Si16O48
80
61
1,007.34
mp-23634
8.214779
1.651578
0.841928
other
K8Sb8Cl8F24
48
61
1,001.67
mp-734003
10.041231
7.503558
-6.165682
other
Li16P24N8O72
120
61
1,768.29
mp-561237
13.586856
4.713016
-1.895568
other
Li8Ca8B8O24
48
61
510.03
mp-1197459
13.820122
4.54503
-1.895868
other
Ca24Mg24B48O120
216
61
2,263.5
mp-1195883
13.2662
6.418268
-0.737012
other
Rb16Mn8Si40O96
160
61
2,640.99
mp-1196438
-4.068002
-1.35552
-5.372244
other
Cs8Cu16As8S24
56
61
1,369.29
mp-683990
13.866434
4.199089
-2.170555
other
Na24Mg8B40O80
152
61
1,794.49
mp-1328326
6.295303
9.531366
-1.746542
other
Mg8Cu8Bi8O40
64
61
777.36
mp-699540
10.445936
10.73899
-4.028981
other
Yb8Cu8Mo16O64
96
61
1,514.12
mp-1196140
1.166299
2.082031
-4.658107
other
Nb8P32Se24Cl40
104
61
3,045.5
mp-560455
11.068441
10.928655
-3.997228
other
Eu8Cu8Mo16O64
96
61
1,605.9
mp-756982
14.681224
7.897052
-5.967169
other
Li8Cr8P8O32
56
61
635.65
mp-561117
7.644136
3.650657
-3.650092
other
S8Xe8O24F16
56
61
1,129.52
mp-560928
8.05558
2.309795
-0.905309
other
Sb16I8Br16F88
128
61
2,750.34
mp-1213667
11.731935
11.131157
-3.719732
other
Er8Cu8Mo16O64
96
61
1,328.88
mp-1197474
13.194735
6.059597
-6.747749
other
Na16Mg16P48O144
224
61
3,021.03
mp-1196034
12.33951
6.281505
0.09544
other
Pr24Si16B8O80
128
61
1,677.34
mp-1041863
13.455118
7.27584
-0.864148
other
Mn8Zn8Si16O48
80
61
922.84
mp-1209479
7.716105
2.500144
-1.427676
other
Sb8N8Cl8F24
48
61
1,094.24
mp-23810
11.820541
6.890773
-3.887552
other
Ba16As16H16O64
112
61
1,741.98
mp-1198316
12.2995
6.264528
0.010194
other
Gd24Si16B8O80
128
61
1,570.59
mp-23662
11.814515
3.973026
-3.59028
other
Li8B8H32O32
80
61
627.64
mp-1041529
13.398185
7.396256
-0.742595
other
Ca8Si16Sn8O48
80
61
1,095.57
mp-572634
1.773864
2.449766
-5.320586
other
Al16Ag8Cl40O8
72
61
1,935.71
mp-1198088
8.162941
4.772327
-4.605391
other
K8H24C8O48
88
61
1,075.43
mp-1019516
1.961762
1.886213
1.394792
other
Ba32Ga8N24O8
72
61
1,603.29
mp-24156
11.410026
4.832428
-5.522253
other
Cu4P8H16O16
44
61
508.02
mp-1182578
9.146358
5.056852
-5.037899
other
K16H16S16O64
112
61
1,894.4
mp-667288
12.982384
6.201363
-6.260141
other
K16P32Pb8O96
152
61
2,291.96
mp-15125
12.994802
6.263055
-0.687603
other
Rb16Cd8Si40O96
160
61
2,673.19
mp-1041850
12.77611
6.946559
-1.33241
other
Zn8Co8Si16O48
80
61
892.52
mp-1042813
6.152545
9.911594
-1.635175
other
Mg8Fe8Bi8O40
64
61
779.93
mp-722862
8.024332
4.27165
-4.634091
other
Cd8H24N8O40
80
61
885.55
mp-1041877
13.665546
8.677048
-0.828998
other
Zn8Si16W8O48
80
61
975.97
mp-542678
11.659133
4.917592
-4.84432
other
Al8As8H32O48
96
61
902.5
mp-556127
9.32711
3.37923
-5.17065
other
Mg4H24C8O24
60
61
564.89
mp-24053
7.695486
5.278825
-3.566251
other
Ag8H16Cl8O40
72
61
901.7
mp-1203671
7.451616
0.454997
-4.040955
other
K16B16H80N16
128
61
1,395.67
mp-818725
5.737411
3.6364
-3.697765
other
Fe8B48C32O32
120
61
2,260.2
mp-603327
9.988182
3.573687
-4.909481
other
H24S8N8O24
64
61
654.02
mp-1205067
8.693425
10.096855
-0.082904
other
K8Na32Fe8O32
80
61
1,159.67
mp-650510
4.741617
2.635809
-3.575529
other
Ag8C24N24O8
64
61
979.82
mp-1195503
11.628833
5.142012
-4.660704
other
In8As8H32O48
96
61
1,042.3
mp-23688
8.676889
3.220042
-5.627492
other
Rb8H24C16O32
80
61
1,141.21