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-28763
-5.881747
-4.386008
0.656796
other
Ca16As16Pd16
48
62
1,036.53
mp-1232189
-4.189764
-4.26072
-3.87881
other
Pr8Mg4Se16
28
62
832.02
mp-1232122
-2.73969
-2.645651
-5.731904
other
Sm8Mg4S16
28
62
688.44
mp-29351
12.969623
10.659189
-0.417389
other
Ba4Mo24O40
68
62
938.29
mp-1101571
10.009706
7.766733
-6.31274
other
Cu16P12O48
76
62
890.29
mp-28292
-4.638759
-3.014737
-3.790698
other
Na32Ge8Se32
72
62
1,996.26
mp-756930
9.222627
8.592744
2.205113
other
Ba4Ca4O8
16
62
291.9
mp-1246485
1.814387
1.963183
1.431379
other
Ca16Se4N16
36
62
627.65
mp-1207655
-6.607982
-1.429197
1.76643
other
Y4Co20As12
36
62
485.77
mp-29304
1.147432
1.935925
-5.230094
other
Y8In4Cl28
40
62
1,120.61
mp-4655
7.114901
9.318034
-0.6079
other
Sr4Tl8O16
28
62
408.15
mp-621925
-5.010205
-0.816803
-5.266579
other
Mn8Ge4S16
28
62
568.56
mp-13549
-8.540049
-5.801131
3.524622
other
Ce4Zn4Au4
12
62
264.47
mp-1207428
-6.130992
-2.178253
1.737534
other
Zr4Ni4As4
12
62
183.71
mp-1029444
1.05827
2.425337
1.656305
other
K4Co4N4
12
62
225.79
mp-1103346
-7.13291
-3.174692
3.004344
other
Nb4Ge4Pt4
12
62
193.52
mp-780728
10.674897
-0.093379
0.284532
other
Li4Mn4F16
24
62
278.64
mp-1213500
2.562607
3.01651
-4.213087
other
La4N8Cl20
32
62
883.69
mp-726676
1.261189
2.31117
-3.821158
other
Ba4Br8O4
16
62
532.27
mp-1173603
10.986096
11.554425
2.245806
other
Na4Ti8O16
28
62
753.88
mp-998592
-1.227463
2.429603
-2.246157
other
Rb4Ca4I12
20
62
853.74
mp-777665
10.42952
1.650007
2.101051
other
Li8Fe4F16
28
62
280.9
mp-540771
-3.295382
-1.617318
-5.370069
other
Ba4Zr4S12
20
62
506.06
mp-22426
-5.341651
-3.172797
5.370226
other
Sc4Si4Ni4
12
62
177.14
mp-23443
-1.176374
2.855741
-3.017367
other
Mn4Tl4I12
20
62
727.35
mp-1232254
-4.281632
-4.210705
-3.82807
other
Lu8Mg4Se16
28
62
693.02
mp-1210558
-4.132756
-0.235584
-3.997923
other
Nb8Cu4S16
28
62
515.37
mp-17412
9.371517
8.420953
2.742866
other
Ba4Pr8O16
28
62
493.03
mp-29349
6.388286
2.807269
-3.632693
other
H16S16N16
48
62
731.96
mp-1232149
-2.730721
-2.524403
-5.700295
other
Mg4Sc8S16
28
62
597.33
mp-1227437
-4.728276
-3.090553
-3.498966
other
Cs12Bi44Se72
128
62
4,323.76
mp-1020594
12.326416
6.675797
-0.786325
other
Zn8Si4O16
28
62
347.2
mp-1209170
1.06179
1.839363
-5.335201
other
Rb4Sm8Cl28
40
62
1,196.01
mp-1188312
-8.211487
-5.272282
2.847656
other
Eu4Ge4Pd8
16
62
310.14
mp-645159
9.192482
10.951813
0.028714
other
Fe4Bi4O12
20
62
240.6
mp-1193579
-2.531104
-2.766424
-5.61063
other
Ba4Tm8S16
28
62
701.22
mp-1102976
-6.335354
-1.317105
3.109185
other
Zr4P4Os4
12
62
184.63
mp-18196
-5.725641
-3.906692
-1.592951
other
Ba4Tm8Te16
28
62
981.56
mp-1189725
6.518282
1.336935
-3.55413
other
Li8H4N4
16
62
138.8
mp-1210131
-6.574267
-4.547968
1.05993
other
Nd4Bi4Rh4
12
62
285.55
mp-1189950
-6.47794
-3.999734
4.200843
other
Lu4Si4Pd8
16
62
269.67
mp-21981
-7.719448
-4.836538
3.296183
other
Y12Ni12Sn24
48
62
1,055.24
mp-38200
-2.364917
-0.492474
-5.554561
other
Li8P4S12
24
62
423.36
mp-650026
1.110944
1.964262
-5.330567
other
Pr4In8Cl20
32
62
919.32
mp-984697
10.092673
8.438239
3.06438
other
Eu4Lu8O16
28
62
375.72
mp-775764
9.993871
0.531631
0.516112
other
Li8Fe4F20
32
62
389.43
mp-1202719
-6.659351
-3.184919
0.879531
other
Pr8Sb16Ir12
36
62
833.95
mp-1193797
-4.17162
-4.303344
-3.763643
other
Ba4Dy8Se16
28
62
815.34
mp-1193989
-2.520364
-2.751422
-5.601886
other
Sr4Tb8S16
28
62
693.74
mp-1194337
-4.155822
-4.326488
-3.796264
other
Sr4Lu8Se16
28
62
743.27
mp-11265
-5.555595
-6.98045
3.352857
other
Ba4Ca4Sn4
12
62
461.32
mp-573422
7.857088
10.441895
-3.697947
other
Cs4Cr12O32
48
62
735.03
mp-27349
8.306991
2.155514
-1.27656
other
B4S4F28
36
62
458.09
mp-553939
8.667557
3.653132
-7.070506
other
Ca4C4O12
20
62
248.79
mp-1353996
6.36534
11.806868
-1.860324
other
Mg4Co12O28
44
62
526.02
mp-1102520
-5.727776
-2.096405
4.01001
other
Zr4Si4Mo4
12
62
202.44
mp-759405
7.936486
2.220077
1.195124
other
Bi12O8F20
40
62
579.51
mp-706518
7.786062
9.976323
-3.692973
other
Tl8Cr8O32
48
62
765.42
mp-30077
-5.047395
-6.007284
0.425965
other
K16Ga8Sb16
40
62
1,451.78
mp-18309
-3.182837
-1.916801
-5.390218
other
Ba8Cd4S12
24
62
690.31
mp-760188
10.9668
11.944274
2.720384
other
Nb12O28F4
44
62
655.43
mp-21643
-5.688261
-0.996066
1.889604
other
U4Mn20P12
36
62
486.52
mp-1188570
-2.969559
0.372679
2.620352
other
U4Tc4C8
16
62
196.73
mp-20270
-3.205888
0.603264
2.658844
other
U4W4C8
16
62
221.47
mp-7538
9.800163
8.335196
3.197517
other
La4Er4O12
20
62
304.08
mp-1199349
-3.487495
-1.624524
-5.108939
other
Yb12Sb16S36
64
62
1,501.29
mp-31275
-3.38576
-3.605445
0.282849
other
Ba4Te8P16
28
62
789.39
mp-1246043
1.610404
1.822055
1.145663
other
Sr16Sn4N16
36
62
862.72
mp-727459
8.445207
7.655428
-4.488736
other
Rb20P16O64
100
62
1,955.16
mp-4582
8.333182
10.463577
1.155663
other
Nd4Rh4O12
20
62
243.69
mp-29573
-3.24119
-1.152854
-5.418805
other
Sb16S20Cl8
44
62
1,292.78
mp-19901
-8.157305
-6.360038
2.963924
other
Eu4In4Au4
12
62
302.93
mp-540932
6.962576
10.21065
-1.57951
other
Mn4Ag8O16
28
62
385.69
mp-22971
-3.307016
-1.22789
-5.162457
other
Sb4S4Br4
12
62
338.1
mp-20718
6.072979
11.440925
-0.241765
other
Eu4Ni4O12
20
62
215.04
mp-1195982
-2.699312
-2.678739
-5.273063
other
La8Th4S20
32
62
779.42
mp-754794
10.330341
7.47228
2.851216
other
La8S8O4
20
62
465.03
mp-1210615
6.60593
10.135113
-1.633953
other
Na16Mn4O20
40
62
567.94
mp-1209567
8.129688
1.276011
1.025907
other
Rb8Sb4F20
32
62
685.66
mp-1095628
-8.288592
-5.231591
3.012103
other
Y4Sn4Pd4
12
62
265.17
mp-622171
11.51571
10.220371
-0.795269
other
V4Sb8O20
32
62
502.29
mp-1193963
-3.957167
-1.330649
-5.893991
other
Mg8Si4S16
28
62
559.89
mp-559808
10.859409
7.284362
-1.403959
other
Cs12P4O16
32
62
706.27
mp-1193946
-4.14871
-0.337255
-4.183404
other
Mn4Nb8S16
28
62
480.97
mp-1246488
1.612854
1.810361
1.25532
other
Ca16Pb4N16
36
62
693.97
mp-17048
-4.027509
-0.901436
-5.170965
other
Rb8W4S16
28
62
872.65
mp-568796
-1.316774
2.624415
-2.259707
other
Rb4Yb4I12
20
62
869.74
mp-770936
9.602621
8.485309
3.212492
other
Ba8Sc8O20
36
62
595.06
mp-18769
12.119272
10.334734
1.383621
other
Ce4V4O12
20
62
238.21
mp-1195520
-6.047638
-3.595041
1.62099
other
Hf12Sb28Pd4
44
62
1,018.29
mp-1246078
2.432427
2.344933
1.056524
other
Sn16C4N16
36
62
698.61
mp-1193091
-4.206802
-4.329074
-3.795433
other
Yb4Tm8Se16
28
62
734.12
mp-558179
13.928623
8.267614
-2.203792
other
Fe24B8O40
72
62
726.08
mp-1102952
-3.842313
-4.238118
-3.672452
other
Dy4As4Se4
12
62
267.66
mp-541963
-4.835081
-2.760525
-3.66625
other
Rb12Fe8Se16
36
62
1,119.84
mp-22561
-2.658873
0.469375
2.497175
other
Pr8Re4C8
20
62
375.31
mp-22996
-1.035843
2.039125
-3.407743
other
Sb4Se4I4
12
62
403.93
mp-1207590
-8.127796
-5.738494
3.283826
other
Yb4Cu4Sn4
12
62
253.31
mp-18008
-3.084046
-1.941142
-5.569506
other
Ba8Hg4S12
24
62
692.51
mp-1373518
5.51355
11.060596
-1.932972
other
Zn4Fe4O12
20
62
203.69