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-1214877
12.238379
6.664888
-2.479812
other
Al4Ni8B4O20
36
55
328.2
mp-1207977
14.025883
9.28587
-1.404915
other
V4Fe8B4O20
36
55
374.89
mp-560591
12.295547
8.142262
0.776526
other
Na2Ti4Al10O24
40
55
405.45
mp-774513
7.5606
13.696024
-1.438129
other
Li8Ti8Co10O36
62
55
642.11
mp-1196909
14.183913
6.942225
-2.440208
other
Mg4Fe8B4O20
36
55
363.9
mp-756548
14.088032
9.430185
-1.160633
other
Li2V10B4O20
36
55
364.82
mp-728476
5.879905
5.257543
-3.826063
other
K16Rh6Br36O20
78
55
2,382.29
mp-1210684
14.2244
7.143822
-1.51277
other
Mg8Ti4B4O20
36
55
357.33
mp-1211708
-9.209021
-1.027581
4.018883
other
Li4Mg20B24Rh38
86
55
1,070.43
mp-704623
-3.575085
-4.186857
-4.285594
other
Nd14V2Se16O8
40
55
929.08
mp-1189674
1.254396
2.462147
-4.110129
other
K4Pt2Br8O4
18
55
504.6
mp-729158
6.937412
6.133533
-4.410771
other
S8N12Cl4O24
48
55
935.57
mp-1177172
11.747708
13.441506
-0.986788
other
Li8V10Cr8O36
62
55
658.47
mp-1097025
14.267101
8.045712
-1.811271
other
Ga4Fe8B4O20
36
55
367.26
mp-1210873
8.534432
12.685839
-0.169692
other
Mn4Al4Bi4O20
32
55
368.94
mp-1213414
-4.584268
-3.09614
-3.739215
other
In8Bi16Pb16Se52
92
55
2,679.26
mp-554119
-3.34084
-1.222436
-5.421921
other
K4Sn4As4S20
32
55
867.8
mp-1210145
11.845716
8.101041
-0.097432
other
Nd4Cr4Ge4O20
32
55
385.18
mp-1198373
12.91658
6.15091
-0.547133
other
K12Nd4Si24O60
100
55
1,786.15
mp-1223734
-3.454183
-1.472919
-5.332531
other
K4La4Sb4S18
30
55
800.17
mp-1194690
-7.076772
-1.750003
6.610194
other
Pr4Mg4Al28Fe8
44
55
755
mp-1207733
11.955103
8.120667
-0.232098
other
Y4Cr4Ge4O20
32
55
366.9
mp-6453
12.886082
6.162866
-0.541213
other
K12Nd4Si24O60
100
55
1,755.45
mp-650840
-3.668169
-1.92378
-5.462416
other
In8Bi16Pb16S52
92
55
2,383.8
mp-766831
9.185503
13.764514
0.278992
other
Na8Ti10Mn8O36
62
55
735.19
mp-1237503
9.799072
4.400606
-4.194666
other
Co4P4H48O36
92
55
1,024.2
mp-557931
9.49334
1.95205
0.990571
other
Cs4V4O4F12
24
55
443.03
mp-728491
11.222867
6.986039
-1.218259
other
K16Sc8Si16O56
96
55
1,404.97
mp-774849
10.944027
13.389927
-1.538142
other
Li8V10Fe8O36
62
55
692.81
mp-1096865
14.216401
8.06201
-1.654514
other
Al4Fe8B4O20
36
55
351.94
mp-1213761
12.405722
7.542922
-2.916859
other
Cr4Ni8B4O20
36
55
345.57
mp-569687
-0.972986
0.871869
-5.154664
other
Cu4Hg4Se4Cl4
16
55
399.19
mp-1197918
13.457168
4.5354
-2.638505
other
Co14B48H12O92
166
55
1,306.97
mp-1180589
6.435182
6.194358
-3.645512
other
Mn4Zn4Br16O24
48
55
1,547.08
mp-1213112
11.973168
7.391743
0.238551
other
Er4Al4Ge4O20
32
55
345
mp-1207853
13.865685
8.109516
-2.442512
other
V4Co8B4O20
36
55
359.37
mp-764236
7.922176
4.701894
-7.483733
other
Li8Mn4C4O20
36
55
324.8
mp-768066
8.060139
14.320744
-1.178178
other
Li8Mn10Fe8O36
62
55
660.89
mp-1224301
-0.798332
1.210798
-4.767873
other
Hg12S8I2Br6
28
55
873.8
mp-1202562
3.406372
3.378896
-3.955986
other
Hg4N8Cl16O4
32
55
1,038.69
mp-1212155
11.966206
8.061316
-0.267598
other
Ho4Cr4Ge4O20
32
55
363.59
mp-1203720
12.563006
6.89653
-3.065543
other
Fe4Co8B4O20
36
55
359.25
mp-556078
8.129282
2.011556
-0.655328
other
Mg2As4Xe4F32
42
55
787.3
mp-769508
8.715534
14.623125
-0.701851
other
Li8Ti4Mn14O36
62
55
667.28
mp-758001
8.488951
4.163594
-7.548698
other
Li8V4C4O20
36
55
333.01
mp-1179695
6.092311
5.674305
-3.840033
other
Sr4Bi4Br20O32
60
55
1,944.38
mp-1214382
9.096763
6.926795
-3.374979
other
Ca8Mg8B16O52
84
55
979.23
mp-683997
11.138916
8.173829
2.795675
other
Ce12Nb4S12O16
44
55
774.8
mp-727410
1.73024
2.649271
-5.375221
other
K4Sn2Cl8O2
16
55
430.66
mp-1213301
11.87888
8.17937
-0.03266
other
Er4Cr4Ge4O20
32
55
363
mp-1213026
11.805965
8.115777
-0.017107
other
Dy4Cr4Ge4O20
32
55
367.56
mp-557744
12.80887
5.6493
-2.204892
other
Na4U4B4O20
32
57
421.55
mp-696315
8.04401
4.118403
-5.015971
other
Na8H8N8O16
40
57
428.04
mp-18610
11.778601
8.246027
1.550555
other
Sm8Si4Se4O16
32
57
487.1
mp-557384
13.298017
4.995499
-2.18353
other
Mg4U4B8O28
44
57
585.88
mp-14530
13.851702
8.626178
-5.341108
other
Rb4Mo8P12O48
72
57
1,067.21
mp-542704
8.499793
3.508323
-5.926684
other
Cs4H4C4O8
20
57
386.52
mp-1211538
10.182068
10.243564
3.292648
other
K4Nd4Ti4O16
28
57
399.96
mp-1193611
8.344392
4.628253
-4.607721
other
Ba4Te4S12O8
28
57
661.59
mp-1195783
7.976019
3.136807
-3.515913
other
Sc4C24O24F36
88
57
1,142.65
mp-1210307
10.322293
10.395632
3.282161
other
Na4Lu4Ti4O16
28
57
349.9
mp-555319
13.624964
5.612804
-7.111932
other
Rb12Ti12P20O80
124
57
1,796.4
mp-1196559
10.203919
11.254531
-3.918546
other
Sm4V8I4O36
52
57
749.9
mp-16915
8.858552
1.51862
1.29975
other
Ba4Ti4O4F16
28
57
413.93
mp-1182998
7.927669
6.468916
-4.35479
other
Ag12S4N12O12
40
57
767.93
mp-562862
10.941976
7.234736
-2.921844
other
Co4Bi8S4O28
44
57
636.37
mp-18584
12.007191
8.362957
1.454642
other
Ho8Si4Se4O16
32
57
454.47
mp-1196110
9.894982
9.698818
-1.891001
other
Sr4Cu4Te8O28
44
57
618.38
mp-975336
4.653487
2.715264
-3.592893
other
K4C4S4N4
16
57
470.29
mp-25843
13.751974
8.785641
-5.4363
other
Li4Mo8P12O48
72
57
1,030.41
mp-557135
9.687278
8.613268
-4.034248
other
V4Ag4Se4O20
32
57
432.13
mp-1213317
10.03276
7.960836
-4.353903
other
Cu16As4Cl4O24
48
57
642.85
mp-7018
10.057082
7.398559
2.434751
other
La4Ga4S8O4
20
57
375.8
mp-1203339
6.795915
11.718857
0.614965
other
Ca16Fe8Co8O40
72
57
907.7
mp-17913
11.966127
8.339695
1.509447
other
Tb8Si4Se4O16
32
57
465.35
mp-1211326
10.23693
10.25858
3.277974
other
K4Sm4Ti4O16
28
57
395.1
mp-759152
13.33531
7.228196
-7.079296
other
Li4Mn4P12O36
56
57
824.35
mp-541513
10.256021
10.403781
3.242324
other
Na4Gd4Ti4O16
28
57
364.48
mp-17633
12.020024
8.375339
1.6603
other
Er8Si4Se4O16
32
57
449.54
mp-1198275
10.164566
11.140238
-3.949037
other
Pr4V8I4O36
52
57
743.02
mp-863002
10.146741
8.097988
-6.769713
other
Co4P12N4O36
56
57
744.77
mp-25927
12.363185
7.380437
-7.126958
other
Li4Ni4P12O36
56
57
793.94
mp-571582
-0.448348
1.15407
-4.570673
other
Tl4Hg12Sb8Br12
36
57
1,232.97
mp-1211763
10.227083
10.257961
3.264442
other
K4Gd4Ti4O16
28
57
393.78
mp-1204913
10.877337
11.517236
-3.688918
other
Cs8V8H8O28
52
57
998.54
mp-759767
12.459227
7.307378
-7.024067
other
Li4Cu4P12O36
56
57
781.63
mp-1208088
4.784582
2.715267
-3.572546
other
Tl4C4S4N4
16
57
368.11
mp-542663
11.837135
8.850466
1.815573
other
Ce8Si4Te4O16
32
57
528.87
mp-628647
0.732084
1.872327
-5.058267
other
Tl4Hg12As8Cl12
36
57
1,009.53
mp-1200263
-4.18485
-3.815511
-3.528239
other
La16Fe4Sb8Se40
68
57
1,733.32
mp-554081
13.50763
5.374369
-6.144549
other
Ca8P4Cl4O16
32
57
481.13
mp-758634
14.257693
8.692766
-4.543975
other
Li4P12W8O48
72
57
1,043.91
mp-777371
10.456732
8.194347
-6.864215
other
Li4Cr8P12O48
72
57
924.27
mp-1202658
10.757851
11.52035
-4.104392
other
Th4V8Se4O36
52
57
740.36
mp-17366
11.797623
8.178167
1.494896
other
Ho8Si4S4O16
32
57
452.62
mp-1195819
9.134297
6.209285
-6.44588
other
Mn8Te4S4O32
48
57
631.24
mp-726626
9.949243
3.383239
-4.324319
other
V4H16N4O12
36
57
348.84
mp-1196253
8.461705
2.547829
-4.659274
other
H36C4N28O12
80
57
764
mp-6055
12.047737
8.59056
1.290943
other
Sm8Si4Te4O16
32
57
492.41
mp-1195003
12.20668
6.038708
-2.46001
other
B12Pb24O40F4
80
57
1,352.31