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-614
6.639532
6.076455
-3.853328
other
Na4O8
12
205
168.46
mp-1848
-6.093149
-2.354679
-0.483596
other
Te8Ru4
12
205
266.94
mp-562
-6.531852
-3.683052
0.737232
other
Sb8Pt4
12
205
274.6
mp-28730
1.226907
2.372994
-5.378795
other
In28Cl36
64
205
1,830.07
mp-567273
-1.173543
2.094755
-2.467536
other
Hf8I32
40
205
1,998.18
mp-1212495
-3.405131
-3.709271
0.472126
other
Ge4P8
12
205
215.66
mp-2070
-5.451179
-0.826822
-3.927094
other
Co4S8
12
205
168.57
mp-2310
7.433395
5.831092
-3.329298
other
Cd4O8
12
205
157.88
mp-1102743
-4.177512
-1.449538
-5.888576
other
Zn4S8
12
205
210.16
mp-20905
-5.444421
-0.962444
-3.417022
other
Os4S8
12
205
179.42
mp-226
-5.498323
-0.60564
-3.859699
other
Fe4S8
12
205
157.19
mp-27721
3.504527
-0.58949
-2.561575
other
As4H12
16
208
209.03
mp-862779
-6.477058
-0.959342
4.091745
other
Tc6Os2
8
194
113.48
mp-1200995
-9.253513
-1.466644
2.813845
other
Sm8Ni28
36
194
507.7
mp-1101792
-6.649497
-9.56055
5.784564
other
Eu4Mg8
12
194
352.36
mp-985303
-6.104842
-7.754048
5.666146
other
Ac6Th2
8
194
331.37
mp-977165
-6.343883
-6.754893
3.403691
other
Li6Co2
8
194
107.51
mp-568565
-6.114438
-1.905457
1.305459
other
Cr2As2
4
194
68.11
mp-1101907
-7.722091
0.05804
5.841344
other
Lu4Fe8
12
194
183.03
mp-1066162
0.640928
2.049362
1.79575
other
Ir2N2
4
194
43.07
mp-1187972
-6.306549
-6.77649
3.747852
other
Yb6Sn2
8
194
240.16
mp-849079
-5.106443
-0.947073
-4.564729
other
Ni2S4
6
194
106.91
mp-557142
-3.967616
-1.543174
-5.471016
other
Li4S2
6
194
95.03
mp-1184712
-8.433484
-5.884289
2.034464
other
Ge2Au6
8
194
148.36
mp-19816
-7.874164
-6.676216
6.174025
other
Sm4In2
6
194
179.22
mp-984351
-8.274744
-6.106791
2.342087
other
Cu2Ag6
8
194
132.67
mp-1197874
-9.292005
-1.364989
2.918192
other
Dy8Ni28
36
194
508.29
mp-1186410
-7.865921
-3.376651
2.566174
other
Np2Pt6
8
194
138.36
mp-1103618
-7.240253
-1.708727
3.060301
other
Nb4Ni8
12
194
154.85
mp-1183628
-4.361554
-5.633348
2.483243
other
Cd2C2
4
194
67.13
mp-1821
-7.493942
1.674449
-4.840608
other
W2Se4
6
194
131.13
mp-1079348
-7.866695
0.132722
4.585608
other
B6Os4
10
194
96.03
mp-1589
-6.466955
-1.169787
4.310763
other
Ti4Cr8
12
194
159.16
mp-976953
-6.279471
-2.126746
0.017758
other
Ni6Te2
8
194
105.25
mp-1187686
-7.640203
-6.713998
7.048221
other
Tm2Lu6
8
194
235.84
mp-23176
2.179542
2.742995
-4.645723
other
Sb2Cl10
12
194
396.91
mp-567339
-7.665557
-2.02603
4.630432
other
Pr4Os8
12
194
228.21
mp-9953
-5.055612
-2.529196
2.473356
other
Hf4P4
8
194
143.04
mp-1184661
-5.748619
-4.092578
3.909395
other
Hf6I2
8
194
180.44
mp-975653
-3.29829
-1.74293
-5.430137
other
Pr2S6
8
194
165.11
mp-13364
-7.682206
-6.998586
3.948799
other
Ca4Zn8
12
194
234.86
mp-1185226
-6.692871
-6.728303
6.420115
other
La6Yb2
8
194
302.15
mp-7087
15.738786
5.631255
0.365944
other
Si4O8
12
194
202.51
mp-11275
-5.69176
-1.280364
4.217132
other
Be8Re4
12
194
117.35
mp-1187540
-8.447959
-2.56791
3.334402
other
Tl2Rh6
8
194
129.16
mp-559928
15.804387
5.570593
0.448251
other
Si6O12
18
194
377.89
mp-1187680
-5.585478
-3.386729
3.767942
other
Yb2Nb6
8
194
172.25
mp-1095443
-7.757795
0.140023
5.622272
other
Sc4Fe8
12
194
175.37
mp-21393
-6.447906
-5.506683
5.621173
other
Ce6Al2
8
194
211.38
mp-1186554
-6.733976
-7.381947
7.158413
other
Pm6Eu2
8
194
285.43
mp-1183046
-5.525798
-3.320528
3.870323
other
Zr2Ti6
8
194
151.06
mp-974049
-6.093406
-3.870842
4.087891
other
Hf6Pt2
8
194
159.62
mp-7955
-5.452902
-5.708442
0.579792
other
Li6Sb2
8
194
156.98
mp-2187
-5.774584
-3.115193
2.089431
other
Ti2Sb2
4
194
88.21
mp-980667
-0.320424
0.972357
-3.975333
other
Sr2Br6
8
194
238.7
mp-983479
-6.462016
-5.983331
6.80474
other
Sm6Si2
8
194
211.43
mp-982377
-7.077339
-6.910782
7.053108
other
Yb2Nd6
8
194
284.17
mp-2214
-7.880501
-9.297891
6.845295
other
Tm4Mg8
12
194
299.92
mp-1187995
-5.926639
-7.444459
4.88824
other
Yb6Sm2
8
194
304.23
mp-24131
3.044669
-0.634089
-1.999316
other
Gd2H6
8
194
80.47
mp-863695
-1.313636
1.854624
-1.85634
other
Pm2I6
8
194
434.59
mp-1185939
-8.403826
-4.363233
2.040579
other
Mg2Pd6
8
194
122.33
mp-1183770
-3.695852
-3.913087
0.7669
other
Ce2P6
8
194
143.84
mp-1190880
-7.086995
-1.143175
4.771424
other
Hf8Mn16
24
194
341.95
mp-1102759
-7.512947
-1.123757
5.585747
other
Ho4Mn8
12
194
187.92
mp-1187798
-6.956157
-6.818394
7.140533
other
Y6Ho2
8
194
266.1
mp-1192084
-7.506346
-4.557042
3.960637
other
Hf8Zn16
24
194
386.57
mp-1384466
5.50314
11.214228
-2.61054
other
Fe2O4
6
194
74.1
mp-22514
-7.390425
-2.156332
2.778429
other
Mn4Sn2
6
194
96.7
mp-569945
-9.224943
-1.148962
2.775666
other
Tb4Ni34
38
194
474.65
mp-1098706
-4.233206
-4.383512
-3.411011
other
Ce2Se4
6
194
187.82
mp-30630
-6.357566
-7.328829
3.060172
original
Eu2Tl4
6
194
180.65
mp-11820
-4.752468
-7.429737
3.177547
other
Ba4Na8
12
194
562.19
mp-974023
-7.749045
-5.989018
2.951941
other
In6Cu2
8
194
190.5
mp-1186204
-5.551006
-7.436289
4.081341
other
Na2Yb6
8
194
322.91
mp-1212567
-5.073107
-1.229446
4.6466
other
Hf12Be102
114
194
1,053.76
mp-975321
-3.887738
-4.929772
5.840352
other
Li2Si6
8
194
116.99
mp-1184189
-7.61952
-6.381712
5.864066
other
Er6Pb2
8
194
223.44
mp-571512
-6.173489
-2.81927
-0.727263
other
Te2Pt2
4
194
89.1
mp-1186104
-4.97023
-7.214153
3.573154
other
Na6Zr2
8
194
234.03
mp-974589
-5.708049
-0.682845
3.629762
other
Re6Mo2
8
194
123.12
mp-1102111
-5.39993
-1.274229
4.094145
other
Pr4Re8
12
194
240.11
mp-1196360
-8.634819
-0.097438
4.406813
other
Tm4Co34
38
194
457.83
mp-1197586
-9.253406
-6.277647
4.6472
other
Ho26Zn116
142
194
2,475.8
mp-721469
-3.858309
-2.034364
-4.952184
other
Rb4S2
6
194
207.7
mp-1186197
-6.127055
-7.314977
2.120142
other
Na2Tl6
8
194
243.14
mp-1183380
-4.789063
-7.277182
3.677289
other
Ba6La2
8
194
437.53
mp-1187133
-4.958052
-7.513843
3.780413
other
Sr6Fe2
8
194
314.34
mp-1005752
-7.65716
-6.685886
6.489592
other
Sm6In2
8
194
239.65
mp-1186817
-5.604167
-4.714862
3.440689
other
Pu6Zr2
8
194
199.36
mp-1187059
-6.468646
-5.921337
5.83582
other
Th6Pt2
8
194
218.7
mp-20473
-6.968699
-0.963837
3.578291
other
Mn4Ge2
6
194
77.52
mp-1185785
-8.045347
-9.86581
6.08495
other
Mg6Os2
8
194
141.47
mp-568315
-9.279523
-4.893071
3.531884
other
Cd8Cu16
24
194
344.54
mp-1136
-4.659907
-5.869272
0.582151
other
Na6As2
8
194
196.04
mp-30778
-8.158619
-8.806293
5.05482
other
Mg20Rh8
28
194
504.73
mp-1184504
-5.625693
-7.249
4.178459
other
Eu6W2
8
194
269.99
mp-865353
-1.367215
1.850508
-1.993363
other
Tm2I6
8
194
411.38
mp-1184392
-7.911003
-6.97406
2.63621
other
Eu2Ag6
8
194
190.75
mp-1202260
-9.18492
-1.190325
2.765819
other
Lu4Ni34
38
194
467.49