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-1043054
13.007472
7.040117
-7.092515
other
Ti4Zn4Ni4P8O36
56
62
661.38
mp-21646
12.993774
8.304949
-7.426019
other
Ca4V4Ni4P8O36
56
62
691.6
mp-560601
9.624922
5.215292
-6.366433
other
K8Cu4S4Cl8O16
40
62
807.27
mp-1215159
11.491056
7.044795
-2.158039
other
Ba12Na4Mn16Si24O92
148
62
2,095.5
mp-1202411
14.636477
8.39846
-4.865736
other
Fe8P4H4O12F8
36
62
425.29
mp-1194166
8.126375
1.165839
-4.378744
other
H12C4Br4Cl4F4
28
62
519.64
mp-1193701
7.280626
1.697123
-4.098586
other
Cu4H8C4Br4N8
28
62
456.41
mp-1194496
5.590032
2.555447
-4.13196
other
Ge4H12C4N4O4
28
62
551.53
mp-761916
10.027892
3.455673
-3.734506
other
Na4H16Au4Br16O8
48
62
968.64
mp-1204819
-3.567453
-2.147346
-5.346179
other
Ba16Mn4In8S24F16
68
62
1,631.92
mp-504495
11.424659
10.050414
-3.701398
other
Na4Zn4Mo4H4O20
36
62
467.73
mp-581114
12.836531
6.302737
-0.465959
other
Cs16Y8Si32O80F8
144
62
2,479.5
mp-24802
12.777902
6.442215
-0.514159
other
Sr8Al12Si12H4O52
88
62
971.95
mp-1196410
9.003777
7.392482
-3.519165
other
Na4Cu20Se8Cl12O32
76
62
1,249.7
mp-1199536
8.275069
1.401347
-4.184098
other
Sn4Mo4H24C8O16
56
62
754.44
mp-1194662
11.862005
6.690827
-0.934978
other
K12Tb4Ge12H8O40
76
62
1,185.32
mp-555253
10.935529
8.44889
2.74273
other
La20Ti8Ag4S20O28
80
62
1,447.93
mp-1201579
7.075696
11.45048
0.654349
other
Ba4Fe4Co4Pb4O20
36
62
497.3
mp-697551
9.810304
6.863823
-3.439279
other
Na4Co8H4Se8O28
52
62
642.63
mp-1209656
5.029607
2.955556
-3.741539
other
Rb4Hg4C12N12O12
44
62
830.04
mp-1193294
6.054155
2.291143
-4.193185
other
Si4H12C4N4O4
28
62
555.88
mp-1229290
9.739527
6.400185
-3.844991
other
Cs4Sc12H24Se24O80
144
62
2,229.02
mp-1200098
5.112138
4.440835
-3.919409
other
Ir4W4N20Cl4O16
48
62
1,017.24
mp-1043126
9.76878
8.140489
-6.68172
other
Zn4Co4Ni4P8O36
56
62
638.69
mp-1211598
8.888392
3.020488
-4.413068
other
K4Hg4H8Cl12O4
32
62
684.79
mp-571548
8.32991
0.78595
-4.516686
other
Sb4H64C16N8Cl20
112
62
1,590.34
mp-616577
0.883033
1.850883
-1.256586
other
Sr12B4C4N4Cl8
32
62
707.8
mp-1198160
11.275992
11.07375
-3.913708
other
Rb8Li4Fe4Mo12O48
76
62
1,292.54
mp-1332813
13.198065
8.688011
-7.366713
other
Mg4V4Ni4P8O36
56
62
651.45
mp-728420
7.60339
5.003582
-5.136214
other
Mo8H20C20N12O56
116
62
1,738.29
mp-1197479
14.26681
8.190873
-4.910689
other
Fe28Sb12P12Br12O72
136
62
2,100.64
mp-1213584
10.266205
4.327501
-5.524862
other
Cu12H32S16N8O64
132
62
1,439.52
mp-1195258
11.808249
6.747437
-0.952467
other
K12Gd4Ge12H8O40
76
62
1,198.41
mp-1204109
3.62697
3.543433
-3.973213
other
Os4Br8N16Cl4O8
40
62
885.2
mp-1213674
6.746058
5.201714
-4.597418
other
Cu4H4S4N16O16
44
62
798.62
mp-734086
2.375247
2.846359
-3.927406
other
K4Ir4Br20N4O8
40
62
1,204.71
mp-654900
8.918763
2.811346
-4.869277
other
Cu4H36C16N4O24
84
62
1,048.37
mp-1043098
10.940939
7.977888
-7.693019
other
Mg4Mn4Ni4P8O36
56
62
638.55
mp-1218260
10.905184
12.578369
1.941102
other
Sr4Li4Ti16Cr4O44
72
62
817.05
mp-560777
3.048584
2.432035
-5.327771
other
K12Hg12S8Cl20O24
76
62
1,758.39
mp-562140
6.269148
4.721572
-5.161588
other
Rb12Co4N4Cl16O12
48
62
1,264.57
mp-23652
-0.766771
1.183976
-4.845932
other
Hg24S16I4Br8Cl4
56
62
1,713.38
mp-1043092
13.037795
6.559005
-7.084499
other
Ca4Ti4Ni4P8O36
56
62
697.05
mp-1198207
8.405726
0.879883
-4.328955
other
H48W4C8S16N8
84
62
1,136.19
mp-735545
4.16958
2.529571
-5.322307
other
Rb8Fe4H8Cl20O4
44
62
1,014.98
mp-558478
11.27447
8.994802
2.594049
other
La12Nb4Se8O16F8
48
62
840.64
mp-1179461
6.229259
3.54859
-3.561124
other
W12C28N4Cl24O28
96
62
2,243.92
mp-1214981
7.6488
8.165209
-3.513267
other
Al4P8C4N12O40
68
62
1,060.52
mp-1197350
12.152608
6.720407
-7.24025
other
Cs4Fe4B4P12O44
68
62
966.1
mp-554527
8.477726
1.221773
-4.397256
other
H48C16I4N4O12
84
62
848.78
mp-706973
8.663651
2.286022
-4.614956
other
H16C4S4N8O8
40
62
445.91
mp-1094059
8.135727
0.748877
-4.373914
other
Sn4H24C4I12N4
48
62
1,023.75
mp-566287
7.410141
10.162042
0.920269
other
Ba8Eu8Zn4Pt4O32
56
62
839.74
mp-1196691
14.343904
7.351549
-6.620907
other
Mn8P4H4O12F8
36
62
423.87
mp-1202160
11.155483
3.602266
-4.674181
other
Co4P4H24N4O20
56
62
487.73
mp-604978
8.514745
2.13438
-1.077574
other
Ni4As12H12O4F72
104
62
1,402.63
mp-17799
4.913413
2.717806
-3.569304
other
K4Cd4C12N12O12
44
62
715.77
mp-735476
3.048799
3.136922
-4.163275
other
Mo4H8N8Cl20O4
44
62
968.36
mp-1204183
8.291706
0.732197
-4.469939
other
Mo8H148C48N12Cl32
248
62
3,011.82
mp-1225935
-4.134127
-1.741691
-5.548214
other
Cu8Ag4Bi4Pb4S16
36
62
789.59
mp-1196365
4.393805
3.153748
-4.019508
other
Sb4P4C12Cl20O4
44
62
1,254.57
mp-770853
13.261425
7.445014
-7.196978
other
Li16Co8P8O32F8
72
62
745.71
mp-706606
7.960905
1.156133
-4.127378
other
B4H20C4S4N8
40
62
464.02
mp-766478
9.076571
3.431668
-6.900341
other
Li4V4C4O12F8
32
62
343.14
mp-572902
-3.215743
-0.872194
-5.190142
other
Cs8Ce4As4S12Cl8
36
62
1,150.88
mp-559474
10.934849
8.441173
2.693835
other
La20Ti8Cu4S20O28
80
62
1,414.74
mp-770894
15.003078
7.874747
-5.572972
other
Li16Cr8P8O32F8
72
62
772.38
mp-1205269
5.929558
3.50288
-4.032903
other
Na8B48S32I48O64
200
62
5,002.29
mp-1214330
2.977196
2.789227
-3.762918
other
Cr4Pt4Br16N20Cl4
48
62
1,314.7
mp-557084
12.350403
6.840251
-0.940168
other
Al8Cu4Si8O28F8
56
62
614.01
mp-557791
8.01345
2.288583
-1.242429
other
Te16As8S4O8F48
84
62
1,749.32
mp-1205123
2.999277
3.097841
-4.035156
other
H8Ru4N8Cl20O4
44
62
920.75
mp-554446
12.829195
7.25964
-7.390424
other
Li16Ni8P8O32F8
72
62
699.42
mp-560144
-0.007521
1.666013
-4.352118
other
K8Ru4Br20N4O4
40
62
1,177.18
mp-1202437
9.963017
3.645504
-5.271074
other
Cs4H8S4N4O12
32
62
513.14
mp-1195419
9.72695
6.653601
-3.724453
other
Na4Mg8H4Se8O28
52
62
700.42
mp-758882
12.07779
5.056412
-5.254231
other
K8Co4P16H32O64
124
62
1,472.94
mp-1196537
7.844109
0.23875
-4.515437
other
Fe4As8H72C24I12
120
62
2,170.93
mp-1212764
2.765979
2.978398
-4.081995
other
Ir4Pt4Br16N20Cl4
48
62
1,178.31
mp-23801
4.383605
2.530137
-5.231566
other
K8H8Ir4Cl20O4
44
62
977.59
mp-1202060
5.906692
3.952805
-3.533379
other
Fe4C12N4Cl12O8
40
62
892.64
mp-1199552
9.436357
2.563712
-4.470689
other
Co4H56Se4N20O28
112
62
1,059.49
mp-1197837
8.210191
0.6648
-4.459755
other
Al4H72C24N8Cl12
120
62
1,568.88
mp-1201379
8.711159
2.138912
-4.679141
other
Zn4H36C16N4O24
84
62
836.51
mp-766495
8.305686
4.319081
-7.262501
other
Li4Fe4C4O12F8
32
62
328.72
mp-1043146
13.847264
8.614447
-5.561076
other
Mg4Ni4Mo4P8O36
56
62
697.31
mp-1203386
4.887638
2.094527
-4.988436
other
K8H12Ir4N4Cl20
48
62
986.64
mp-703539
6.599256
0.953342
-3.799474
other
Ag4B44H24C4Br24
100
62
1,803.57
mp-1214832
12.182878
5.228498
-3.320906
other
Ca4V4Si16H48O44
116
62
1,408.92
mp-1214903
13.374448
6.801032
-0.609498
other
Al12Fe4Si4B4O36
60
62
685.79
mp-776063
14.185426
7.579422
-7.048504
other
Li16Mn8P8O32F8
72
62
791.35
mp-1043759
13.890064
8.358415
-5.520132
other
Ca4Ni4Mo4P8O36
56
62
730.32
mp-1201319
6.540687
4.74605
-4.203856
other
Co4C4Br4N16O12
40
62
558.87
mp-1196674
12.843246
6.299109
-0.461773
other
Cs16Er8Si32O80F8
144
62
2,484.31
mp-1043103
10.271843
7.999908
-6.777475
other
Mg4Fe4Ni4P8O36
56
62
646.87
mp-1043176
12.821525
7.188421
-6.568704
other
Mg4Ni4Sb4P8O36
56
62
691.56
mp-1333433
12.963781
8.714918
-7.220463
other
V4Zn4Ni4P8O36
56
62
653.05
mp-636959
4.288701
2.390635
-3.316355
other
Mn4Fe4C20N24O4
56
62
1,144.84
mp-751967
10.996244
5.673649
-5.025924
other
V8Ni4P8H24O52
96
62
1,078.17
mp-555920
13.666369
7.369866
-6.773083
other
Na8Sr4V4P8O36
60
62
753.83