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-31289
10.015543
8.421974
-1.76951
other
Bi20N4O40
64
14
1,054.07
mp-562669
12.924453
7.390761
-6.845028
other
Co4P16O44
64
14
821.11
mp-754587
12.294056
6.168049
-1.49329
other
K4Be4O6
14
14
236.68
mp-1047057
13.709071
6.902683
-5.804114
other
Sn6P8O28
42
14
687.41
mp-1105772
-5.729448
-1.89639
4.263734
other
Pu4Si8Mo6
18
14
293.65
mp-8708
8.578307
1.590586
-0.549029
other
Mg2Au4F16
22
14
303.49
mp-555279
-2.318571
-0.743029
-5.27841
other
B12S12Br12
36
14
1,245.32
mp-761041
13.31281
6.124286
-7.395683
other
Ti4P8O28
40
14
511.76
mp-555589
9.005708
7.200849
-3.540312
other
Fe8Se24O60
92
14
1,536
mp-1193066
8.524655
9.249474
-0.18184
other
Cs12Fe4O12
28
14
664.01
mp-760783
9.492757
1.882405
0.222632
other
Li12V8F48
68
14
1,116.63
mp-1348904
8.315884
10.368083
-2.820775
other
Ta8Cu8O32
48
14
686.34
mp-582723
-4.529188
-5.620301
0.538558
other
Cs24Al8As16
48
14
1,985.21
mp-1197231
9.972945
8.815094
-0.993384
other
Re4Bi36O68
108
14
1,964.78
mp-7596
12.094994
11.056458
3.393816
other
Nb4N4O4
12
14
132.11
mp-762259
9.716548
0.389396
0.263508
other
Li8Cu8F20
36
14
422.12
mp-1203855
-6.438752
-5.485702
4.173323
other
Li4Yb32Ge52
88
14
1,952.16
mp-1214847
10.987281
3.824577
-3.641595
other
B8H16O16
40
14
620.48
mp-755999
12.13512
6.219703
-1.552736
other
Rb4Be4O6
14
14
251.96
mp-754725
10.8592
9.32966
1.370214
other
U2Cd6O12
20
14
272.66
mp-1199463
5.712596
3.410259
-4.656676
other
Rh16C48O48
112
14
2,001.06
mp-1346333
8.646282
1.869865
0.541733
other
Zn4Sb4F20
28
14
443.7
mp-1101971
-5.296756
-1.102141
-3.558935
other
Fe4P4S4
12
14
155.61
mp-3416
9.053248
0.898123
1.382293
other
Na6Al2F12
20
14
227.49
mp-27338
9.506676
0.611723
0.558005
other
Sr8Fe8F40
56
14
745.96
mp-780721
9.457737
8.818904
-0.04462
other
Na16Bi8O20
44
14
778.67
mp-866606
-3.408528
-1.671194
-5.711166
other
Ca12Sn12S36
60
14
1,521.19
mp-29269
8.578537
1.772933
0.709366
other
Na4Sb4F16
24
14
364.57
mp-758068
9.783385
8.911957
1.745482
other
K4Yb4O6
14
14
273.96
mp-1246030
0.316377
2.45655
1.982245
other
Mn40Cr4N36
80
14
767.26
mp-758229
8.803431
11.86174
-0.059561
other
Ti2Cu6O8
16
14
187.61
mp-568060
-5.938657
-3.464484
-2.124988
other
Na32Ge16Te40
88
14
2,854.8
mp-1210529
-0.252723
0.948813
-4.168682
other
Na6Er2Br12
20
14
581.37
mp-1196290
8.833688
7.729379
-5.14489
other
Ge4P8O36
48
14
631.45
mp-27202
6.341902
0.399163
-3.485305
other
B36H32S4
72
14
841.51
mp-754457
10.391474
1.66004
2.141126
other
Li4Fe2F8
14
14
157.39
mp-1221521
-6.060133
-3.003145
-2.061417
other
Mn2Zn2Te8
12
14
327.65
mp-27431
8.934782
2.022909
1.086786
other
Sn12B4F36
52
14
825.62
mp-1193748
-5.863096
-3.77213
-1.775498
other
Cs12Al4Te12
28
14
1,304.31
mp-28373
-4.574103
-3.567096
0.768216
other
Ba4P12Pt8
24
14
545.33
mp-541111
1.675021
2.431724
-5.254281
other
Al4Ga4Cl16
24
14
672.95
mp-14276
8.57069
1.449639
0.356225
other
Rh4Pb8F28
40
14
581.78
mp-510607
7.893898
10.039468
-3.697268
other
Sr4Cr4O16
24
14
344.43
mp-16989
-4.526706
-5.670319
0.476963
other
K20Sn4As12
36
14
1,175.52
mp-1203464
9.450176
8.465351
-2.725492
other
Bi8As4O24
36
14
526.14
mp-1019559
13.60077
4.533586
-1.686129
other
Ca8B8O20
36
14
434.33
mp-755907
10.71371
0.723728
-0.969011
other
Co8O4F12
24
14
279.46
mp-777738
11.657956
4.160048
-3.903146
other
Al4H12O12
28
14
212.48
mp-1345999
8.968522
1.818522
1.520902
other
Ca4Ti4F20
28
14
424.43
mp-860962
11.080622
12.412039
-3.259996
other
Sr8V12O36
56
14
772.85
mp-772147
12.996886
10.726813
2.336439
other
Li4Nb28O48
80
14
1,050.72
mp-505818
9.913221
7.501218
-1.787028
other
Eu8Si8O28
44
14
562.56
mp-772862
-1.236611
1.947529
-1.651494
other
Ba4Sr8I24
36
14
1,743.7
mp-5706
-4.039083
-2.541103
-3.479609
other
Sn4P4Se12
20
14
544.15
mp-1199191
9.550947
5.087265
-6.487506
other
Sb8S16O60
84
14
1,213.78
mp-1198778
-3.799931
-1.167959
-2.919236
other
Te24Ru4Br32
60
14
2,182.17
mp-777924
10.268106
1.855384
2.230912
other
Li8Fe12F32
52
14
665.03
mp-775931
-4.672749
-1.018395
-5.353524
other
Li16Fe8S16
40
14
724.87
mp-778256
9.247993
8.60867
0.167103
other
Rb16Mg8O16
40
14
905.67
mp-1200874
-7.440164
-4.66898
5.014338
other
Ce16Mg8Ni16
40
14
821.34
mp-30983
13.182038
6.419703
-6.491915
other
Ca4P16O44
64
14
1,017.71
mp-760595
8.031593
4.257046
-6.600135
other
Cu4C4O12
20
14
279.55
mp-25850
12.403426
9.09147
-7.42254
other
V4P8O28
40
14
472.64
mp-1372790
9.186144
1.88601
1.453499
other
Ti4Zn4F20
28
14
377.16
mp-1211462
6.90516
6.377398
-3.783118
other
Nd4I4O36
44
14
870.71
mp-1207871
8.665873
10.645542
-3.489122
other
V4Pb4O16
24
14
341.69
mp-559817
7.8413
9.960826
-0.031043
other
Na12Cu8O16
36
14
469.72
mp-4135
13.050159
5.967908
-6.212942
other
Rb4P4O12
20
14
330.33
mp-1040924
12.770926
7.116774
-6.673345
other
Sb4P8O28
40
14
580.3
mp-780240
13.556211
5.661916
-6.768446
other
Gd8P16O52
76
14
1,180.21
mp-772282
10.865934
9.117022
-0.8477
other
Sb8I4O10
22
14
506.03
mp-772077
-1.245849
1.941214
-1.713087
other
Ba8Y8I40
56
14
2,589.59
mp-1205430
5.663507
-0.178537
-3.044015
other
Be4B24H64
92
14
1,002.06
mp-1197109
6.934629
7.977614
-3.294064
other
Fe4S4O44
52
14
924.26
mp-1195898
9.499781
10.013173
0.023949
other
Na32Fe8O24
64
14
982.94
mp-1195856
6.899507
8.063944
-3.217645
other
Fe4S4O32
40
14
595.29
mp-3859
13.616603
4.564128
-1.682671
other
Ca8B8O20
36
14
428.65
mp-676303
0.921945
1.466176
-3.996027
other
Na2U4Cl12
18
14
428.95
mp-771899
12.388698
7.546213
-6.58927
other
Ni16P8O36
60
14
640.48
mp-505267
-5.829689
-2.009201
4.705609
other
Np4Si8Tc6
18
14
302.37
mp-756348
-4.699243
-1.084268
-5.358869
other
Li8Fe4S8
20
14
347.45
mp-1378105
6.501284
9.092705
-0.973911
other
Zn4Bi4O12
20
14
265.95
mp-1211854
11.289425
10.890652
-4.064785
other
La4Mo4O20
28
14
478.68
mp-1209702
-0.311691
1.083809
-4.378236
other
Rb12La4Br24
40
14
1,578.1
mp-1198098
7.73334
10.287029
1.667423
other
La24Ir8O56
88
14
1,265.5
mp-756521
9.187016
8.954167
0.487063
other
Ba4Na8O8
20
14
387.87
mp-616587
12.948668
5.926029
-6.161577
other
Rb8P8O24
40
14
710.76
mp-570125
-0.617203
1.293876
-4.327374
other
Hg8Te4Br12
24
14
781.27
mp-32120
13.417788
8.936881
-5.487731
other
Mo6P8O32
46
14
617.01
mp-772655
11.577697
11.856504
-2.661572
other
V12W8O48
68
14
1,159.71
mp-982980
1.203858
1.821799
-5.39672
other
Na6Dy2Cl12
20
14
495.66
mp-28812
9.065187
8.749353
-1.042552
other
Ag20Bi4O16
40
14
657.93
mp-779462
8.91885
6.91653
-3.636375
other
Sb8Se12O48
68
14
1,176.16
mp-27818
10.480967
4.760561
-6.680323
other
Mn8S8O24
40
14
566.88
mp-1203944
6.624074
6.354026
-3.663207
other
Hg16Cl8O48
72
14
1,201.15
mp-1204217
6.132763
5.169722
-4.452417
other
Th2N16O36
54
14
742.94
mp-625739
11.588948
4.141465
-3.937418
other
Al8H24O24
56
14
427.39
mp-728909
7.3821
6.731146
-4.539878
other
V4S4O32
40
14
780.56
mp-1197430
-4.788529
-4.961823
0.220433
other
Cs8Na4As28
40
14
1,350.15
mp-1193336
7.558963
7.717997
-3.840964
other
Mn4Se4O20
28
14
398.62