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-1186532
-6.763549
-6.98217
6.954816
other
Pm3Ti1
4
221
117.57
mp-436
-8.774809
-5.533895
6.149509
other
Sm1Rh1
2
221
42.19
mp-1183636
-5.111985
-7.468536
3.87782
other
Ca3Eu1
4
221
178.53
mp-1429856
7.330589
10.503804
-3.497656
other
Cr1O3
4
221
49.3
mp-1184759
-7.895367
-2.344458
2.877368
other
Ir1Pt3
4
221
61.69
mp-1058151
4.507711
4.001147
-3.301009
other
N1Cl1
2
221
24.53
mp-1184488
-6.421258
-6.147646
1.260379
other
In3Bi1
4
221
114.14
mp-568705
-8.294735
-4.56004
4.169147
other
Yb1Ir1
2
221
37.8
mp-1184225
-7.266376
0.150232
3.69329
other
Fe3W1
4
221
47.97
mp-1059242
5.680413
5.423398
-3.362184
other
Cl1O1
2
221
32.32
mp-1183110
-6.102984
-6.109918
6.02621
other
Ac1Ce3
4
221
123.69
mp-11504
-9.509764
-4.685253
3.423174
other
Mn1Zn3
4
221
55.26
mp-1505
-7.950369
-9.006998
6.977933
other
Tm1Mg1
2
221
52.61
mp-10653
-5.705213
-3.946177
-1.849262
other
Sr1Te1
2
221
68.31
mp-1185003
-6.748716
-6.598819
6.841791
other
La3Cl1
4
221
117.49
mp-556257
14.942817
5.785288
-0.072676
other
Si48O96
144
228
2,664.93
mp-1201116
6.955555
5.685028
-3.608321
other
Te8O48
56
228
749.12
mp-1074532
-2.988294
-7.592736
7.51718
other
Mg8Si6
14
23
264.25
mp-1207434
-5.715996
-3.968578
3.938061
other
Zr8Co2
10
227
230.06
mp-1214053
-5.27797
-7.2973
3.589223
other
Ca8Ir2
10
227
393.72
mp-30352
-7.762837
-6.979166
2.329764
other
Na2Ag4
6
227
123.85
mp-1211837
-6.648186
-6.73771
6.426296
other
La8Mg2
10
227
397.82
mp-1208743
-5.027626
-7.377227
3.468951
other
Sr8Rh2
10
227
468.99
mp-1213030
-7.35989
-6.539898
6.71088
other
Er8Fe2
10
227
283.34
mp-1209721
-7.586413
-6.757236
7.108454
other
Pr8Ir2
10
227
365.29
mp-1077241
-9.410605
-5.23277
4.46333
other
Y2Cu4
6
227
103.84
mp-1211363
-7.438159
-6.31404
6.549823
other
La8Ru2
10
227
357.35
mp-1209468
-7.488092
-6.815381
7.200166
other
Pr8Rh2
10
227
355.86
mp-2498
-7.689296
-2.063803
4.58837
other
Pr2Os4
6
227
114.37
mp-1207631
-5.980513
-7.205953
4.336294
other
Yb8Co2
10
227
333.33
mp-30803
-8.899547
-1.323878
2.901233
other
Pu2Ni4
6
227
82.17
mp-1213098
-7.640686
-6.69516
7.064449
other
Dy8Co2
10
227
286.05
mp-1147622
-3.761916
-1.358331
-5.15465
other
In2S4
6
227
129.25
mp-1207453
-5.515597
-3.711601
3.832593
other
Zr8W2
10
227
254.61
mp-1425
-6.450447
-1.160614
4.314846
other
Ti2Cr4
6
227
79.52
mp-1211676
-7.129755
-6.38927
6.470046
other
La8Co2
10
227
335.84
mp-1214523
-4.431667
-2.167401
4.116158
other
Be52Mo4
56
227
647.82
mp-1934
-7.492725
-7.159294
3.631865
other
Li2Zn2
4
227
55.74
mp-30775
-7.947163
-8.96079
6.799435
other
Pr2Mg4
6
227
164.67
mp-1085
-7.675238
-2.175715
4.496033
other
U2Os4
6
227
107.04
mp-2028
-5.007025
-1.553978
4.502327
other
Be4Nb2
6
227
70.21
mp-11556
-6.374741
-3.297801
3.26753
other
Pu2Ru4
6
227
100.45
mp-1405126
-4.810154
0.336233
-4.619859
other
V4S8
12
227
206.1
mp-695
-7.558837
-0.894404
4.22458
other
Ti2Co4
6
227
74.81
mp-1077252
-6.707322
-0.809056
3.892805
other
Cr4Ni2
6
227
70.67
mp-1213370
-7.998176
-2.297877
5.110689
other
Ga8Ru4
12
227
200.82
mp-1400
-6.030108
-1.440167
3.936823
other
Hf2W4
6
227
109.26
mp-400
-6.970185
-4.55172
6.445819
original
Nd2Al4
6
227
128.84
mp-421
-9.153566
-1.399389
2.951003
other
Dy2Ni4
6
227
88.97
mp-1208815
-6.145796
-5.485623
3.057976
other
U4Pb8
12
227
466.11
mp-568430
-8.763792
-2.940446
3.918881
other
Ba2Rh4
6
227
123.95
mp-858
-7.129349
-4.533577
6.512334
other
Tm2Al4
6
227
116.43
mp-1207
-7.655473
-0.09584
5.757837
other
Nd2Fe4
6
227
103.14
mp-1926
-7.714283
0.029238
5.821626
other
Ho2Fe4
6
227
96.64
mp-903
-6.67218
-1.337018
4.478208
other
Zr2Cr4
6
227
89.85
mp-1209844
-6.192094
-4.553326
2.957695
other
Pu8Ir2
10
227
290.17
mp-1213963
-6.675958
-5.795191
5.594433
other
Ce8Os2
10
227
308.84
mp-1213330
-5.489704
-7.343779
3.866091
other
Eu8Al2
10
227
454.77
mp-1214226
-5.68434
-3.305284
3.788077
other
Be2Nb8
10
227
186.13
mp-504110
13.058863
10.735229
-0.231189
other
W4O8
12
227
188.84
mp-571090
-7.510601
-1.106889
5.533572
other
Er2Mn4
6
227
92.5
mp-1212961
-5.958706
-6.898977
3.589945
other
Eu8N4
12
227
289.72
mp-23163
-5.75822
-5.964583
0.79088
other
Cs2Bi4
6
227
232.37
mp-2358
-7.13693
-4.620099
6.438288
other
Sm2Al4
6
227
125.21
mp-2184
11.5272
8.085906
-2.958053
other
As8O12
20
227
346.29
mp-1209568
-7.641615
-6.836576
7.312285
other
Pr8Ru2
10
227
350.66
mp-1213233
-7.486405
-6.769873
7.046343
other
Dy8Ni2
10
227
296.75
mp-727406
1.544738
2.560474
-4.037309
other
Ta12Cl36
48
227
2,029.27
mp-570113
-7.583457
-5.919009
1.24765
other
Bi2Au4
6
227
129.28
mp-476
2.575165
2.192624
1.563349
other
Ge6N8
14
227
143.55
mp-9027
-3.945883
-0.098675
-4.47155
other
Ti4S8
12
227
235.91
mp-1212906
-7.788249
-6.483291
6.577489
other
Er8Pt2
10
227
324.72
mp-1213260
-7.331297
-6.801633
7.266294
other
Dy8Fe2
10
227
294.54
mp-22797
-8.055456
-3.416199
2.464563
other
Eu2Pt4
6
227
116.51
mp-867501
-7.80925
-4.760334
4.878079
other
Sc16Ni8
24
227
440.58
mp-1077077
-8.234098
-1.169338
2.835297
other
Cr2Ni4
6
227
72.91
mp-2762
-8.695457
-2.883608
4.159688
other
Y2Ir4
6
227
107.57
mp-11383
-7.03076
0.239366
4.525914
other
Np2Fe4
6
227
80.1
mp-19871
-8.233998
-6.24649
2.159316
other
Pb2Au4
6
227
130.92
mp-1210253
-4.876987
-7.12742
2.57184
other
Na8Pt2
10
227
375.83
mp-1208347
-6.303807
-6.031421
5.636657
other
Th8Ir2
10
227
346.16
mp-474
-7.684497
0.055354
5.775934
other
Er2Fe4
6
227
95.58
mp-8352
15.77213
5.613032
0.379944
other
Si2O4
6
227
101.25
mp-673
-9.197189
-1.383076
3.041775
other
Ho2Ni4
6
227
88.19
mp-1212899
-7.142972
-6.814864
6.994167
other
Dy8Al2
10
227
345.57
mp-1390701
-5.429485
-0.489667
-4.206923
other
Co4S8
12
227
201.73
mp-1212267
-8.004783
-6.444242
6.679466
other
Ho8Ir2
10
227
315.47
mp-1207806
-6.950523
-6.88022
6.985887
other
Y8Al2
10
227
350.17
mp-607
-7.774587
-1.763018
4.812267
other
Ce2Ru4
6
227
106.68
mp-1210089
-6.075565
-7.372087
2.260964
other
Na4Tl8
12
227
383.35
mp-2295
-9.206602
-1.465496
2.960824
other
Ca2Ni4
6
227
90.44
mp-1210171
-5.963566
-4.567872
3.154532
other
Pu8Ni2
10
227
267.01
mp-1120781
-5.581829
-1.612689
-3.242375
other
Ni6Se8
14
227
244.52
mp-1077790
-7.003679
-0.040463
4.381063
other
Nb2Fe4
6
227
82.48
mp-1208254
-5.338766
-3.101504
3.740412
other
Ti8Co2
10
227
178.1
mp-1210090
-7.556561
-6.720202
7.04742
other
Nd8Rh2
10
227
346.43
mp-1214412
-4.806602
-7.141368
3.412014
other
Ba8Rh2
10
227
570.86
mp-1212251
-5.66112
-3.788561
4.119425
other
Hf8Mo2
10
227
240.74
mp-1210828
-7.582322
-6.541434
6.802913
other
Lu8Ni2
10
227
284.83
mp-1208312
-6.182252
-6.020481
5.761518
other
Th8Os2
10
227
347.24