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-557466
8.305605
1.948722
0.938382
other
Bi4F12
16
215
191.47
mp-1198296
-6.384507
-3.182811
6.229052
other
Al48Ru4
52
215
855.89
mp-1197621
-9.278076
-4.576278
3.819755
other
Ga16Cu36
52
215
647.05
mp-504760
-6.351588
-7.007597
3.081879
other
Li40Pb12
52
215
1,033.38
mp-1094094
8.561611
11.381144
-0.743376
other
Ni5O4
9
215
94.79
mp-568505
-1.540638
0.616695
1.404923
other
As4C3
7
215
97.86
mp-1246
-7.31626
0.702042
3.902572
other
Fe4C1
5
215
56.69
mp-1181291
8.360867
7.67746
-3.932039
other
Ge7O23
30
215
461.95
mp-1246371
-5.605206
-4.137272
0.600064
other
Cu36As16
52
215
726.71
mp-21975
-8.005951
-6.65035
2.097744
other
In16Ag36
52
215
982.04
mp-571653
6.099923
2.470016
-2.88431
other
C3N4
7
215
41.31
mp-683917
-9.283895
-4.660116
3.73089
other
In16Cu36
52
215
775.59
mp-570377
-4.824525
-5.058801
0.283171
other
Sn3As4
7
215
197.06
mp-1238814
8.802884
0.932746
-3.972682
other
H4N1
5
215
60.87
mp-571436
-1.015044
2.293474
-3.238672
other
Sn1I4
5
215
257.7
mp-1101754
2.766674
-0.372903
-1.700702
other
Ti4H7
11
215
84.43
mp-680545
-8.512014
-6.030185
2.165558
other
In16Au36
52
215
1,023.44
mp-731900
9.313248
7.78185
-2.621989
other
Ge7O16
23
215
484.18
mp-1095030
5.613141
2.092022
-2.546099
other
B1C7
8
215
47.44
mp-569600
-4.724236
-4.549542
0.034284
other
Ge3As4
7
215
163.13
mp-593
-9.212617
-4.382285
4.004667
other
Al16Cu36
52
215
640
mp-2146
-4.485188
-6.38111
2.159245
other
K32Ge32
64
218
2,060.16
mp-1370
-3.866399
-5.64811
5.053015
other
Cs32Si32
64
218
2,529.06
mp-1273
-4.217255
-6.174094
1.684451
other
Cs32Ge32
64
218
2,586.32
mp-554791
7.835233
8.914974
-3.350019
other
Ru8O32
40
218
606.95
mp-1217
-3.594968
-5.500528
5.5549
other
K32Si32
64
218
2,011.64
mp-1888
-4.278718
-6.269528
1.852026
other
Rb32Ge32
64
218
2,306.62
mp-667320
2.100628
2.907665
-4.395985
other
Se32Cl128
160
218
4,862.79
mp-1210452
2.081414
2.795557
-4.364848
other
S32Cl128
160
218
4,855.31
mp-571056
-4.835201
-6.437404
1.353195
other
Cs32Sn32
64
218
3,164.94
mp-1074
-3.739578
-5.554933
5.356258
other
Rb32Si32
64
218
2,247.71
mp-29688
2.075772
2.633203
-4.768016
other
Ge12Cl32
44
219
1,367.6
mp-27189
2.159933
2.385324
-4.642606
other
Si12Cl32
44
219
1,529.23
mp-567857
-7.899273
-6.792206
2.143912
other
Cd16Ag10
26
217
504.87
mp-1190080
1.619254
2.338256
-4.956948
other
Be6Cl12
18
217
469.91
mp-1993
-7.770831
-9.739953
6.653702
other
Tm5Mg24
29
217
693.98
mp-1193259
-7.165039
-0.482588
5.293437
other
Al16Fe10
26
217
336.62
mp-1219349
-8.170293
-5.806955
2.288449
other
Si6Au20
26
217
467.19
mp-1021328
8.042272
0.121534
-4.57159
other
H4C1
5
217
60.93
mp-27873
12.65905
9.274692
2.106697
other
Ta8O4
12
217
213.1
mp-1207450
-9.310998
-3.994923
3.159657
other
Zn18Fe8
26
217
350.8
mp-30361
-8.862296
-6.32118
2.716913
other
Zn16Ag10
26
217
401.42
mp-1194459
-7.25202
-0.788386
4.283386
other
Ba1Mn28
29
217
345.2
mp-1818
8.676291
1.827282
-0.170078
other
Si1F4
5
217
73.71
mp-1193415
-8.293545
-6.284724
2.237828
other
Cd16Au10
26
217
502.97
mp-1239206
5.756114
1.977728
-2.740106
other
B8C24
32
217
197.33
mp-1192487
-7.798149
-9.64539
6.625422
other
Ho5Mg24
29
217
701.01
mp-393
-6.393303
-3.677849
-0.307223
other
Pd16S7
23
217
363.58
mp-30747
-9.434649
-4.605293
3.245219
other
Zn22Ir4
26
217
368.25
mp-1192984
-5.50507
-1.096567
3.916985
other
Al5Re24
29
217
446.17
mp-570227
1.631441
2.307129
-5.027623
other
Be24Cl48
72
217
3,874.56
mp-1194073
-5.25874
-2.743173
3.78537
other
Ta17Al12
29
217
497.3
mp-1988
-7.731404
-9.876479
6.71803
other
Y5Mg24
29
217
709.32
mp-680721
-4.787529
-2.755209
-3.906868
other
Ga24Se48
72
217
5,403.23
mp-1368
-9.804693
-4.631328
3.618075
other
Zn16Cu10
26
217
334.33
mp-1094683
-5.966527
-8.140182
5.671417
other
Mg16Al13
29
217
582.95
mp-12662
-5.657532
-0.706473
3.683028
other
Re24Mo5
29
217
442.28
mp-1192361
-9.543461
-4.714204
3.19178
other
Zn22Co4
26
217
343.93
mp-11532
-9.676195
-4.511996
3.1745
other
Zn22Ni4
26
217
343.35
mp-1192763
-7.741856
-9.824732
6.636374
other
Tb5Mg24
29
217
709.05
mp-11558
-5.387809
-1.127573
4.007751
other
Sc5Re24
29
217
458.55
mp-13448
-9.504223
-4.646598
3.230982
other
Zn22Rh4
26
217
364.42
mp-21613
-6.15558
-6.976027
2.337632
other
K5Pb24
29
217
966.18
mp-567490
-5.539521
-1.010085
3.9908
other
Hf5Re24
29
217
460.56
mp-20276
8.881684
2.388871
1.774319
other
U4F18
22
217
300.49
mp-1194487
-7.244182
-0.696853
4.248052
other
Yb1Mn28
29
217
330.43
mp-1193426
-7.269977
0.355629
3.95418
other
Fe25Mo4
29
217
346.19
mp-9816
8.439771
1.892009
-0.37169
other
Ge1F4
5
217
74.95
mp-600096
15.368472
5.728791
0.190074
other
Si24O48
72
217
2,889.89
mp-1172909
2.163144
2.537641
-3.807331
other
Be12Cl24
36
217
15,120.79
mp-1194114
-5.649788
-7.267885
5.570744
other
Mg13Al16
29
217
566.24
mp-1211140
-7.044724
-6.987489
3.000518
other
Li16Ag10
26
217
425
mp-1214872
-6.450264
-1.495946
5.138431
other
Al16V10
26
217
389.22
mp-672670
-7.828687
-9.741587
6.707494
other
Dy5Mg24
29
217
704.75
mp-2151
-6.084017
-8.292478
5.626644
other
Mg17Al12
29
217
568.37
mp-1192842
-7.76404
-9.736506
6.601914
other
Lu5Mg24
29
217
687.33
mp-2218
-7.805764
-9.697108
6.633478
other
Er5Mg24
29
217
696.52
mp-1178900
-7.658755
-0.074503
5.816717
other
Y32Fe64
96
217
1,531.56
mp-1194466
-7.350921
-1.208534
4.069847
other
Mn16Ga10
26
217
353.57
mp-1374
-5.530587
-0.96179
4.009267
other
Zr5Re24
29
217
464.73
mp-1188220
15.747334
5.600801
0.41308
other
Si6O12
18
217
354.51
mp-1194089
-7.265536
-0.738637
4.251598
other
Ca1Mn28
29
217
336.36
mp-561543
8.904406
1.076602
1.301689
other
Be12F24
36
217
568.94
mp-518
-5.511532
-0.971533
3.93463
other
Ti5Re24
29
217
444.7
mp-1218088
-6.461836
-4.101649
3.192353
other
Ta4Sn6
10
22
252.54
mp-1226275
-6.48068
-0.284227
3.704406
other
Cr8B2
10
22
108.33
mp-1221769
-6.734964
-0.14732
3.77437
other
Mn8B2
10
22
99.43
mp-1220248
-4.334225
-6.804708
1.500025
other
Rb32O6
38
22
2,661.11
mp-1202074
-7.849031
-7.294476
3.650902
other
Tm22Cd90
112
216
2,573.71
mp-1094654
-6.364749
-8.837971
3.872963
other
Mg1Ga1
2
216
62.16
mp-1198729
-6.414226
-6.848636
3.047807
other
Li88Sn20
108
216
1,918.74
mp-13033
-5.900075
-3.395142
-2.551545
other
Mg1Te1
2
216
67.52
mp-1226916
-2.874128
-2.611735
-4.92888
other
Ce5S8
13
216
411.02
mp-1190
-5.239475
-2.791303
-4.224405
other
Zn1Se1
2
216
45.45
mp-20305
-4.800396
-4.927826
0.094887
other
In1As1
2
216
56.94
mp-1094336
-4.636313
-7.470712
3.127196
other
Sr1Mg1
2
216
120.85
mp-997618
-5.545192
-5.22776
2.61119
other
B1Sb1
2
216
36.85
mp-1199571
-7.776393
-7.227014
3.609814
other
Lu22Cd90
112
216
2,556.91
mp-1018142
0.870981
1.752659
2.683472
other
Nb1N1
2
216
27.52
mp-568623
-7.681479
-5.143128
5.276291
other
Sc88Os14
102
216
2,239.77