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-28842
3.746873
-0.717146
-2.565588
other
Si12P4H36
52
14
769.14
mp-1024067
-3.805902
-1.66082
-5.729797
other
Na8Zn4S8
20
14
419.8
mp-30109
8.420445
2.037693
-0.808824
other
Sb4Au6F36
46
14
661.97
mp-1980701
9.884106
12.710226
-0.888115
other
Hf4Cr4O16
24
14
270.81
mp-1224893
-5.603172
-0.696598
-3.957423
other
Fe2Ni2S8
12
14
167.52
mp-559436
14.421126
5.346537
-2.151647
other
Fe8B16O32
56
14
474.01
mp-1190405
9.005117
6.75611
-3.912666
other
Ca4Se4O16
24
14
350.69
mp-1236914
14.685738
8.225437
-5.039103
other
Cr6P4O16
26
14
324.98
mp-779338
10.898282
8.223458
-7.809155
other
Mn16P24O84
124
14
1,581.39
mp-655140
6.794529
6.697164
-3.478537
other
Mn4Ag4O16
24
14
379.98
mp-28943
14.184739
6.198252
-3.006308
other
Mn8B4O16
28
14
285.67
mp-684496
10.851398
7.760702
-6.828457
other
Sb4P8O28
40
14
540.16
mp-32363
8.64442
7.927802
-4.989121
other
Ni4P8O28
40
14
525.7
mp-1245718
1.12549
1.886668
2.405893
other
Nb20Co4N36
60
14
671.38
mp-1201330
-5.582554
-2.177987
-2.187623
other
Te48Mo8I24
80
14
3,206.58
mp-1372734
9.296473
1.13908
1.108493
other
Ca4Cr4F20
28
14
388.24
mp-571314
1.477059
2.575631
-5.831809
other
K8Co4Cl16
28
14
786.3
mp-25896
12.851924
7.166126
-6.557165
other
Sb4P8O28
40
14
529.58
mp-1100384
-3.61867
-1.304671
-5.673055
other
Ca4Sn20S44
68
14
1,665.03
mp-690493
12.888268
11.303163
0.071828
other
Li4Mo4O8
16
14
170.18
mp-1205014
7.90953
7.47362
-4.045846
other
Pu8I4O40
52
14
869.83
mp-1195093
-4.794558
-5.380181
0.531686
other
Sr12Sn8As16
36
14
1,080.09
mp-557795
8.122093
11.874505
1.935298
other
La4Mn4O12
20
14
297.14
mp-779147
13.731403
5.543245
-6.894101
other
Ho8P16O52
76
14
1,155.49
mp-22814
-5.2996
-3.18667
4.786969
other
U4Ti6Si8
18
14
306.9
mp-27394
1.394067
2.642938
-5.890683
other
Cs4Sn4Cl12
20
14
707.75
mp-754770
10.386944
0.860872
1.642104
other
Li4Mn4F12
20
14
269.78
mp-1197843
10.105366
7.188559
-1.521849
other
Ca10Si4O20
34
14
502.2
mp-780422
11.245478
7.995188
1.895803
other
La12Al12O36
60
14
942.81
mp-553958
12.817038
5.986449
-6.281135
other
Zn12P8O32
52
14
636.69
mp-1203167
5.739717
3.256691
-4.015485
other
C24S32O8
64
14
1,289.69
mp-764814
12.097209
7.591163
-6.835229
other
Ni36P24O96
156
14
1,732.42
mp-768288
-4.468027
-0.95984
-5.504413
other
Li12Fe4S12
28
14
507.42
mp-756725
-1.249691
1.914627
-1.577382
other
Ba4Ca2I12
18
14
792.49
mp-1237008
9.971477
9.450483
1.016699
other
Er4Sb4O16
24
14
293.43
mp-1042755
11.479474
9.642632
-2.923345
other
As8W4O28
40
14
712.09
mp-558373
10.706986
11.621492
3.11067
other
Pr4Nb12O36
52
14
701.62
mp-15046
-3.964303
-2.480156
-3.457847
other
Sb8P12Se36
56
14
1,565.7
mp-780638
10.306099
1.888525
2.165535
other
Li8Fe12F32
52
14
679.6
mp-1213774
7.547394
5.946505
-3.42836
other
Cs8Mo4O32
44
14
851.09
mp-1029595
1.464369
2.196389
1.014655
other
Na12Os4N8
24
14
419.09
mp-1259818
8.294524
13.15851
-0.986982
other
Al4Fe4O12
20
14
197.91
mp-752648
8.278665
8.675219
0.676354
other
Ba6Br4O4
14
14
446.95
mp-570505
2.287733
1.914712
1.60071
other
Ca12Al8N16
36
14
489.73
mp-28589
-0.376516
1.261419
-4.654779
other
Rb12Ge8Br28
48
14
1,794.14
mp-770695
7.948126
8.448889
-0.224813
other
Rb12Pb4O12
28
14
705.09
mp-752496
12.754545
10.81024
1.801783
other
Ti4O4F4
12
14
129.53
mp-624200
-2.682353
0.683821
-3.549779
other
Re12Se16Br4
32
14
840.69
mp-27688
-1.169148
2.939275
-2.912293
other
K4Te2I12
18
14
782.66
mp-1195068
-4.609565
-2.807197
-3.403124
other
Ba12Ta8Se36
56
14
1,661.73
mp-556291
-3.250022
-1.751428
-5.444991
other
Ba12Sn8S28
48
14
1,429.02
mp-767002
12.18751
12.204759
1.740517
other
Ti20P4O44
68
14
813.38
mp-30995
10.162063
9.500729
-2.098933
other
Fe8Te16O44
68
14
1,018.83
mp-772056
6.175872
10.681638
-1.453941
other
Mg8Fe4O16
28
14
297.89
mp-770446
11.790494
7.085992
-4.192186
other
Mg12As8O32
52
14
658.59
mp-753041
10.272299
0.190508
0.39984
other
Li6Mn2F12
20
14
207.93
mp-1190301
2.948086
3.23619
-4.088859
other
Ba4Cl8O8
20
14
460.25
mp-1043650
10.050282
10.548875
-3.290624
other
Re4Bi4O20
28
14
643.73
mp-1204155
13.078953
8.196219
-6.701672
other
Fe12P8O36
56
14
693.79
mp-771882
10.573891
11.565307
-3.892193
other
Nb8V8O40
56
14
951.25
mp-1211092
6.832142
5.699133
-4.403251
other
Mo4N8O16
28
14
429.01
mp-1225004
-5.645953
-0.674751
-3.940955
other
Fe2Co2S8
12
14
162.39
mp-557880
13.104959
5.926926
-6.305082
other
K12P12O36
60
14
1,005.76
mp-15433
-5.112934
-5.966318
0.365586
other
K16Ga16Sb24
56
14
1,799.22
mp-4252
-2.491595
-0.576211
-5.416876
other
Sn4P4S12
20
14
484.47
mp-29958
11.030918
7.767929
-3.630154
other
Hg14P4O20
38
14
614.09
mp-1189145
-5.659221
-2.021058
4.346305
other
Dy4Si8Mo6
18
14
300.71
mp-1211665
8.23569
0.923876
1.753737
other
K6Lu2F12
20
14
356.17
mp-1213078
9.77247
10.991606
-3.096678
other
Er4W4O20
28
14
412.4
mp-753662
12.99994
8.753222
4.292714
other
K4Mg4O6
14
14
209.89
mp-764333
14.489957
12.123652
-0.803925
other
V6O4F12
22
14
272
mp-1378417
10.456416
0.280419
0.306099
other
Mn4Zn4F20
28
14
364.23
mp-777673
10.319775
1.525769
2.055997
other
Li8Fe4F16
28
14
334.91
mp-1190564
12.061893
6.501549
-5.428775
other
Bi4P4O16
24
14
293.96
mp-562735
8.541848
8.820697
-0.223806
other
Cs20Fe4O16
40
14
1,052.25
mp-725918
7.489964
6.529418
-4.554949
other
S4N4O16
24
14
443.53
mp-1097002
-4.482431
-2.263084
-3.471311
other
Hf2Te4Se12
18
14
594.84
mp-29370
-3.438759
-4.531381
0.874659
other
Na12B4P8
24
14
558.09
mp-29264
2.025036
2.807527
-4.401414
other
S4I4Cl28
36
14
1,054.8
mp-28890
8.447035
9.975977
0.089446
other
K8Co4O8
20
14
397.44
mp-1221539
1.746896
2.137282
-3.96255
other
Mo4Br12O4
20
14
540.97
mp-505603
10.213332
7.870363
-2.074492
other
Pb20S4O32
56
14
1,006.59
mp-637235
4.641006
2.243243
-3.046948
other
K4C8N12
24
14
433.27
mp-1193645
8.409704
9.460461
-3.82206
other
Li4Re4O20
28
14
454.86
mp-684502
13.578899
6.829493
-6.098706
other
Sn8P12O40
60
14
964.95
mp-1043603
8.30645
8.46546
-3.437171
other
Bi4Te4O20
28
14
567.66
mp-1195034
-1.216589
2.734009
-2.800337
other
Rb12Bi8I36
56
14
2,743.75
mp-555759
10.34845
10.176179
-3.139439
other
Re4Hg10O20
34
14
608.01
mp-1214099
3.39234
-0.751124
-2.4039
other
Ca2Al4H16
22
14
217.84
mp-1079331
3.071884
3.103192
-4.069025
other
Pt2N4Cl4
10
14
223.31
mp-780420
10.905974
8.343143
2.48686
other
Lu16Al8O36
60
14
784.23
mp-616458
8.554502
3.860378
-6.920052
other
Cs8C4O12
24
14
508.45
mp-1343674
9.635413
0.532401
-0.295824
other
Mg4Co4F20
28
14
344.09
mp-1178551
8.358175
9.034038
0.595722
other
Ba6Cl4O4
14
14
423.27
mp-3584
13.576648
5.29583
-6.220312
other
Nd4P4O16
24
14
293.09
mp-5733
12.689284
6.366865
-0.407331
other
Ca12Si12O36
60
14
797.33
mp-1331355
8.495792
8.119403
-4.459167
other
Fe6As8O32
46
14
687.89
mp-18315
10.228868
7.986529
-0.302022
other
Cs12Si4O14
30
14
663.1
mp-1227095
8.746823
1.049888
0.698698
other
Ca2Pd2F8
12
14
169.67
mp-1210441
-0.208726
0.963582
-4.184089
other
Na6Lu2Br12
20
14
576.54