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-2377
-5.947188
-0.880154
3.350626
other
Ga2Mo6
8
223
120.94
mp-1272
-6.638761
-0.595643
3.824101
other
Cr6Ru2
8
223
99.42
mp-1120
-6.156107
-0.708236
3.411546
other
Mo6Ir2
8
223
125.21
mp-569366
-5.511007
-2.824846
3.341061
other
Nb6Tl2
8
223
154.25
mp-570751
-5.32383
-2.532234
2.835675
other
Nb6Te2
8
223
148.12
mp-796
-5.477065
-2.622457
3.535559
other
Nb6Al2
8
223
141.2
mp-1232
-6.14192
-0.836164
3.374802
other
Mo6Pt2
8
223
124.34
mp-1206445
-5.783339
-0.45646
3.534166
other
Re2W6
8
223
126.68
mp-1080375
-4.24937
-4.99128
-3.422006
other
Ce24Se48
72
223
5,947.53
mp-11271
-6.008598
-0.875356
3.453133
other
Be2Mo6
8
223
114.4
mp-557024
15.602394
5.614344
0.35609
other
Si48O96
144
223
2,914.41
mp-2053
-5.547051
-2.799254
2.731356
other
Nb6Sb2
8
223
149.09
mp-2752
-5.694755
-2.59774
3.623325
other
Nb6Au2
8
223
143.96
mp-541
-5.33498
-2.634806
3.16541
other
Ta6Sb2
8
223
146.79
mp-1206038
-5.794777
-0.607213
2.577933
other
Mo6Se2
8
223
126.5
mp-30876
-5.793148
-3.701221
3.599618
other
Zr6Sn2
8
223
179.29
mp-1213747
-6.409364
-1.165965
2.923268
other
Cr6As2
8
223
93.83
mp-292
-5.568162
-1.40975
2.305101
other
V6As2
8
223
104.54
mp-28979
5.689183
2.199987
-2.852916
other
Ba6C120
126
223
1,511.11
mp-22568
-6.285791
-1.089842
3.802295
other
V6Ga2
8
223
108.14
mp-1786
-6.104247
-3.231009
4.085399
other
Ti6Au2
8
223
131.56
mp-1412
-5.286052
-2.962072
3.028504
other
Ti6Sb2
8
223
143.13
mp-494
-6.014012
-0.871289
3.28125
original
Ge2Mo6
8
223
120.55
mp-958
-6.684646
-0.827534
3.740436
other
Cr6Rh2
8
223
99.75
mp-20995
-4.887202
-5.256707
0.609988
other
Eu8As6
14
220
386.51
mp-15661
-2.62325
0.315262
2.698035
other
Sc8C6
14
220
187.75
mp-1777
-6.356561
-6.719584
3.50782
other
Li30Ge8
38
220
594.49
mp-2571
6.911619
5.944157
-3.561095
other
Rb8O12
20
220
413.06
mp-23187
-6.59695
-5.541963
2.905855
other
La8Bi6
14
220
488.42
mp-2625
-2.707521
0.058238
2.49429
other
U8C12
20
220
264.1
mp-1214488
-4.555169
-5.588698
1.041712
other
Ba8As6
14
220
504.27
mp-1184
-2.133681
0.569228
2.367661
other
La8C12
20
220
343.81
mp-567
-2.50677
-2.90411
-5.128578
other
La6S8
14
220
334.83
mp-571474
-7.535454
-6.373827
4.88344
other
Sm8Sn6
14
220
426.46
mp-11661
1.754349
1.766181
2.541159
other
Zr6N8
14
220
155.5
mp-2045
-6.628747
-5.410774
3.182286
other
Tb8Sb6
14
220
391.05
mp-9546
-1.782129
0.441343
1.651058
other
Yb8C12
20
220
290.84
mp-879
-5.730749
-3.936571
-1.252407
other
La6Te8
14
220
457.14
mp-1695
-2.255978
0.426625
2.480271
other
Y8C12
20
220
279.74
mp-2656
-2.708941
-2.962962
-4.985037
other
Nd6S8
14
220
316
mp-20831
-6.392962
-5.377174
2.979382
other
Gd8Sb6
14
220
404.28
mp-491
-3.78353
-4.114442
-3.51093
other
La6Se8
14
220
376.22
mp-570759
-7.025656
-5.890988
4.076386
other
Tb8Bi6
14
220
413.92
mp-1213719
6.922704
5.9711
-3.550477
other
Cs8O12
20
220
483.04
mp-1212641
-6.16797
-4.93581
1.912048
other
Gd6Sb8
14
220
398.66
mp-2204
-5.70746
-3.985194
-1.308179
other
Nd6Te8
14
220
436.72
mp-1927
-6.661914
-5.486922
3.423672
other
Dy8Sb6
14
220
385.01
mp-19891
-2.504256
0.209785
2.503195
other
Pu8C12
20
220
272.84
mp-568320
-6.652774
-5.541945
3.31836
other
Y8Sb6
14
220
389.81
mp-1209700
-6.295804
-4.559909
2.189481
other
Pu8Bi6
14
220
435.52
mp-20036
-2.653675
-2.843722
-5.143703
other
Gd6S8
14
220
296.44
mp-21895
-5.479746
-7.218853
2.920666
other
Na30Pb8
38
220
1,137.13
mp-1347
-3.989939
-3.933657
0.69647
other
Th6P8
14
220
326.14
mp-19987
-5.776535
-4.500627
1.230546
other
Pa6Sb8
14
220
396.78
mp-23310
-5.933011
-5.903394
1.332864
other
Yb8Bi6
14
220
448.17
mp-30892
-5.109576
-6.336974
1.21395
other
Ba8Bi6
14
220
616.98
mp-683
-2.083372
0.448707
2.314101
other
Pr8C12
20
220
328.77
mp-1295
-5.536792
-5.502944
0.854452
other
Yb8Sb6
14
220
421.84
mp-1209671
-4.613427
-2.413399
-2.289083
other
Pu6Se8
14
220
346.87
mp-567978
-4.25596
-3.983955
0.820688
other
Pa6P8
14
220
284.92
mp-722
-3.805485
-4.234284
-3.594297
other
Pr6Se8
14
220
365.48
mp-570606
-6.720024
-4.721977
5.462273
other
Pr8Ge6
14
220
396.49
mp-12052
-6.853229
-5.480688
3.803051
other
Er8Sb6
14
220
374.32
mp-571144
-5.766863
-3.926507
-1.273835
other
Sm6Te8
14
220
424.25
mp-568959
-5.539684
-4.151022
1.035597
other
La8As6
14
220
391.4
mp-2038
-2.743694
-2.921008
-5.002292
other
Sm6S8
14
220
303.81
mp-20680
-5.656456
-4.482313
1.102392
other
Ce8Sb6
14
220
435.92
mp-1344
-3.876162
-4.190455
-3.510715
other
Sm6Se8
14
220
344.47
mp-11607
3.025104
2.355771
1.706967
other
Si6N8
14
220
136.57
mp-672292
-3.931898
-4.192192
-3.551623
other
Gd6Se8
14
220
337.52
mp-2622
-4.991109
-3.997781
0.338999
other
Pa6As8
14
220
317.84
mp-20328
-3.977055
-3.55565
-2.274419
other
U6Se8
14
220
347.22
mp-21011
-5.178271
-4.239252
0.728796
other
Ce8As6
14
220
378.32
mp-23196
-5.919545
-4.412027
1.104391
other
U6Bi8
14
220
410.09
mp-1197547
-6.449458
-6.770158
3.296674
other
Li30Pd8
38
220
588.57
mp-571281
2.777235
2.443596
1.609805
other
Ge6N8
14
220
162.36
mp-567920
-5.177434
-2.020959
2.471331
other
Ti8P6
14
220
203.89
mp-567395
-6.657078
-6.864864
3.147738
other
Li30Au8
38
220
612.72
mp-14266
-8.827837
-4.420421
4.088963
other
Cu30Si8
38
220
443.65
mp-23283
-6.773087
-5.608106
3.456319
other
Sm8Bi6
14
220
435.74
mp-1223
-6.137685
-5.057502
1.849863
other
La8Sb6
14
220
459.24
mp-556095
-2.637021
-2.964789
-5.040418
other
Dy6S8
14
220
286.51
mp-571336
-6.965604
-6.504271
4.960114
other
La8Pb6
14
220
488.97
mp-9544
-2.111606
0.388312
2.396819
other
Er8C12
20
220
269.98
mp-1382
-2.877178
-3.100577
-4.317806
other
Ce6S8
14
220
311.1
mp-673636
-2.805193
-2.675993
-5.562113
other
Sm6S8
14
220
481.94
mp-20181
-2.172514
0.379743
2.155837
other
Ce8C12
20
220
296.18
mp-568841
-5.586438
-4.03141
-0.236397
other
Np6Te8
14
220
429.3
mp-24202
2.921292
-0.450457
-1.833986
other
Th8H30
38
220
380.07
mp-23252
-5.984734
-5.041115
1.897753
other
Ce8Bi6
14
220
470.69
mp-23175
-6.767273
-5.631664
3.557639
other
Nd8Bi6
14
220
453.37
mp-626
-8.321045
-5.614751
6.037611
other
La8Rh6
14
220
362.73
mp-1190026
-8.817658
-6.105844
6.734279
other
Er12Ru8
20
220
429.05
mp-1188564
-2.364979
0.154357
2.403772
other
Np8C12
20
220
258.57
mp-1105918
8.186034
8.62235
-0.180457
other
Cs8O6
14
220
404.35
mp-606
-5.103623
-3.609298
0.619443
other
U6As8
14
220
317.78
mp-2365
-5.577852
-4.122245
0.780479
other
Pr8As6
14
220
377.13
mp-2238
-2.29071
0.455104
2.484293
other
Dy8C12
20
220
276.69
mp-9545
-2.167406
0.394403
2.480368
other
Tm8C12
20
220
264.77
mp-1188514
-2.380323
0.506723
2.435466
other
Th8C12
20
220
314.24