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-12923
-5.895701
-2.268688
1.599101
other
Sr4P4Ir4
12
198
255.87
mp-21164
-7.447092
-4.932079
3.328878
other
Sr4Ge4Pt4
12
198
291.61
mp-1212489
-2.548715
-0.520873
-5.379417
other
Hg12P8S32
52
198
1,346.25
mp-29011
-6.188747
-3.528563
-1.404634
other
Bi4Te4Pd4
12
198
303.96
mp-29638
-6.318143
-3.352861
-1.186854
other
Bi4Te4Pt4
12
198
303.68
mp-1095517
-5.761419
-2.561904
1.553967
other
Eu4P4Ir4
12
198
246.07
mp-763149
10.445574
0.89966
1.621421
other
Li4Mn4F12
20
198
243.07
mp-866565
-3.409506
-1.572974
-5.734411
other
Ca8Sn8S24
40
198
992.44
mp-14889
-3.816484
-1.66687
-5.368309
other
K36Fe8S28
72
198
2,024.94
mp-1102430
-6.521205
-3.107442
0.27542
other
Sb4Te4Ir4
12
198
268.07
mp-768232
9.44519
8.525121
-0.08439
other
Rb12Sb4O12
28
198
665.39
mp-1196216
-4.522139
-1.300741
-5.59557
other
Cu28P4S24
56
198
895.12
mp-1218926
-5.740366
-2.554873
-1.184041
original
Sn4Pt4Se4
12
198
252.65
mp-756908
10.377358
10.646403
0.039115
other
Li12Sb4O12
28
198
367.58
mp-1213785
-5.628166
-3.617061
5.480771
other
Ce4Si4Rh4
12
198
252.39
mp-8630
-6.499993
-2.951359
0.588062
other
Sb4Ir4S4
12
198
224.13
mp-554435
10.213906
9.993054
-1.608647
other
Tc8Bi24O64
96
198
1,523.32
mp-1226030
-5.447479
-0.785661
-3.842048
other
Co4Se4S4
12
198
182.11
mp-1193894
-3.749811
-1.65111
-5.154726
other
Cs12Sb4S12
28
198
1,118.09
mp-3830
-5.457638
-1.342823
-3.661731
other
Ni4As4S4
12
198
182.7
mp-1103017
-5.879824
-3.01599
-1.540555
other
Ni4Bi4Se4
12
198
242.67
mp-1102668
-6.736525
-3.539394
0.694372
other
Cr4Sb4Pt4
12
198
264.84
mp-28161
3.629972
2.741815
0.670035
other
Na12P24N44
80
198
1,058.55
mp-1219501
-5.247444
-1.193175
-2.917522
other
Ru4Se4S4
12
198
198.8
mp-17844
11.987581
10.894283
-2.009054
other
Sn4W4O16
24
198
442.55
mp-1228823
-5.695727
-1.903908
-1.642555
other
As4Ir4S4
12
198
196.75
mp-778509
10.005676
2.808728
1.942221
other
Li4V4F12
20
198
235.55
mp-29252
8.843896
2.154816
1.337024
other
Sn8Cl4F12
24
198
473.87
mp-768990
-3.604548
-1.121292
-5.538775
other
Li28Nb4S24
56
198
1,055.58
mp-1193265
-4.568392
-2.87778
-3.648916
other
Na12Sb4Se12
28
198
727.12
mp-28287
10.504834
9.954947
-1.850715
other
Re8Bi24O64
96
198
1,538.14
mp-1178354
10.282905
9.607338
3.9182
other
Eu8Zr8O24
40
198
585.78
mp-1100896
-5.572852
-5.387125
0.998118
other
Yb12Gd4Sb12
28
198
861.73
mp-1228724
-5.462515
-2.005705
-1.772221
other
As4Rh4Se4
12
198
212.84
mp-27163
-4.625819
-2.478411
-4.11911
other
Ga4Ag36Se24
64
198
1,399.33
mp-10847
-6.086068
-2.690214
-0.26987
other
Ni4Sb4Se4
12
198
226.98
mp-8686
-4.589227
-2.839523
-3.700231
other
Na12As4Se12
28
198
701.35
mp-675554
-6.356648
-5.242985
2.363482
other
Nd4Sm12Sb12
28
198
833.95
mp-1219924
-5.275525
-1.473795
-2.832367
other
P4Rh4S4
12
198
181.59
mp-776156
10.455853
0.941874
1.654863
other
Li4Mn4F12
20
198
239.3
mp-756361
12.006081
9.453412
2.803591
other
Zr4Se4O4
12
198
204.06
mp-1196869
10.442487
8.044793
2.290788
other
Ba72Al48O144
264
198
4,674.63
mp-1226003
-5.406776
-1.307613
-3.444132
other
Co4P4S4
12
198
157.61
mp-1101336
7.564363
8.397307
-0.25521
other
Tb16Ce16O64
96
198
1,312.38
mp-1103098
-6.727081
-3.288992
-0.255533
other
Bi4Rh4S4
12
198
240.89
mp-18778
11.585423
11.207094
-2.749026
other
Zr4W8O32
44
198
821.17
mp-10849
-4.494072
-2.077193
-2.859752
other
As4Pd4Se4
12
198
231.65
mp-768199
-3.56312
-1.365891
-5.448987
other
Li12Sb4S12
28
198
570.9
mp-10846
-5.217879
-1.791915
-2.912985
other
Ni4As4Se4
12
198
199.18
mp-1210618
-7.238214
-1.183961
3.540114
other
Mn12Si4Ni4
20
198
221.83
mp-1210027
-3.810811
-1.665468
-5.28422
other
Rb36Co8S28
72
198
2,331.64
mp-1102440
-4.903788
-4.803544
5.242173
other
Eu4Si4Pd4
12
198
266.75
mp-1228745
-5.634512
-1.849208
-2.358576
other
As4Rh4S4
12
198
195.75
mp-1195664
-3.445564
-4.054091
0.535067
other
Sr8P28Br4
40
198
967.31
mp-1202323
7.855965
0.148337
-4.485748
other
Si16H144C52
212
198
2,315.59
mp-22151
-6.924903
-5.299453
3.300086
other
Ba4Ge4Pt4
12
198
315.14
mp-9191
-5.956636
-3.577039
-2.037714
other
Na12Sb4Te12
28
198
906.58
mp-3679
-6.243307
-2.483367
-0.300888
other
Ni4Sb4S4
12
198
208.39
mp-753795
9.841471
10.203034
0.113135
other
Li12Bi4O12
28
198
367.83
mp-1103228
-6.77678
-3.33438
-0.011834
other
Bi4Ir4Se4
12
198
255.71
mp-3519
11.794339
9.37679
2.929266
other
Zr4S4O4
12
198
187.39
mp-8843
-4.399638
-5.014059
5.423899
other
Sr4Si4Pd4
12
198
278.6
mp-578931
9.200962
7.405396
-3.492022
other
Cu16Se8O32
56
198
736.68
mp-1193319
-3.761516
-1.692035
-5.215183
other
Rb12Sb4S12
28
198
968.29
mp-17538
-4.690841
-3.08362
-3.729952
other
K12Sb4Se12
28
198
952.32
mp-1225744
-5.725031
-2.970298
-2.458252
other
Cu4Te4Se4
12
198
262.19
mp-10850
-6.340994
-3.326003
-0.454869
other
Sb4Te4Pd4
12
198
288.35
mp-19798
-7.670668
-4.923744
3.497117
other
Eu4Ge4Pt4
12
198
280.06
mp-17250
9.607052
8.733542
0.232481
other
K12Sb4O12
28
198
585.82
mp-10848
-4.426493
-1.736436
-3.451377
other
As4Pd4S4
12
198
215.27
mp-1204711
11.577249
11.266457
-2.799599
other
Hf4W8O32
44
198
804.36
mp-1101765
-6.716059
-3.437877
-0.4058
other
Bi4Rh4Se4
12
198
255.19
mp-14892
-4.703759
-3.031811
-3.813913
other
Rb36Fe8Se28
72
198
2,609.92
mp-1224373
-6.156459
-2.740523
-0.923272
other
Ge4Te4Pt4
12
198
249.37
mp-1201955
-5.280734
-2.70926
-4.208589
other
Cu28P4Se24
56
198
1,022
mp-17912
-4.707037
-3.017453
-3.663251
other
Rb12Sb4Se12
28
198
1,077.31
mp-29525
9.006603
8.465576
-0.258911
other
Rb12Bi4O12
28
198
678.91
mp-971914
-5.141869
-4.260129
4.952409
other
Sr4Si4Pt4
12
198
276.25
mp-777551
10.026974
2.787189
1.94568
other
Li4V4F12
20
198
234.48
mp-1103607
-6.401672
-3.746801
-0.525101
other
Bi4Pt4Se4
12
198
275.29
mp-777853
8.343641
9.541096
-0.092827
other
Na36Cu8O28
72
198
971.09
mp-562072
9.297529
8.473284
-0.162467
other
Cs12Sb4O12
28
198
779.25
mp-669307
-6.710604
-3.474621
0.970169
other
Fe4Sb4Pt4
12
198
231.39
mp-1227372
-6.588335
-3.345541
-0.14809
other
Bi4Te4Ir4
12
198
283.1
mp-560869
11.022068
11.604963
-2.94939
other
K12V4O16
32
198
566.98
mp-1226036
-5.32643
-1.815041
-2.572773
other
Co4As4Se4
12
198
192.33
mp-772181
9.195564
8.443235
-0.120902
other
Cs12Ga4O12
28
198
812.19
mp-18594
-4.624616
-2.825617
-3.646557
other
K12As4Se12
28
198
930.76
mp-1219487
-6.392571
-3.356789
-0.131106
other
Sb4Te4Pt4
12
198
287.49
mp-1203901
6.802117
8.967662
-3.022886
other
Sr4Mn8O44
56
198
911.47
mp-29505
8.948363
8.391335
-0.441175
other
Cs12Bi4O12
28
198
797.84
mp-1218898
-6.250174
-3.166964
-0.423576
other
Sn4Te4Pt4
12
198
280.45
mp-1103317
-6.574696
-3.050809
0.352842
other
Sb4Rh4S4
12
198
223.75
mp-1212682
-7.26057
-0.224199
3.333386
other
Fe12Si4Ni4
20
198
228.1
mp-23330
6.690501
5.814528
-3.442075
other
Na4Cl4O12
20
198
299.37
mp-1200563
-4.607701
-2.452433
-3.961312
other
Ag28As4Se24
56
198
1,349.76
mp-1178248
10.729587
9.896304
4.084565
other
Hf16Zr16O64
96
198
1,070.47
mp-22492
-7.734112
-1.720585
3.518182
other
Mn12Ge4Ir4
20
198
288.74
mp-5626
-5.847775
-3.694026
-1.961004
other
K12Sb4Te12
28
198
1,148.04
mp-1194266
-3.655872
-1.625763
-5.318637
other
K12Sb4S12
28
198
855.31