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-861910
-7.810772
-5.613917
5.130231
other
Sc6Hg2
8
194
178.45
mp-696572
-5.094052
-2.102492
2.043479
other
Ti2P2
4
194
75.62
mp-1197433
-8.857515
-0.266728
4.8094
other
Sm10Co38
48
194
688.19
mp-1184675
2.873342
-0.444607
-1.772248
other
Hf2H6
8
194
62.57
mp-1203997
-9.206334
-6.235209
4.540784
other
Er26Zn116
142
194
2,430.48
mp-977426
-7.225406
-0.674989
3.791252
other
Nb2Co6
8
194
94.28
mp-976935
-8.796877
-1.327088
2.443097
other
Ni6Hg2
8
194
105.31
mp-985302
-6.240654
-7.946241
5.911056
other
Ac6Pr2
8
194
353.34
mp-978927
-7.139263
-6.678334
6.917264
other
Sm2Er6
8
194
253.91
mp-1409
-7.929544
-1.644408
2.700953
other
Ti4Ni12
16
194
182.06
mp-1183347
-4.604271
-7.276039
3.256949
other
Ba6H2
8
194
400.26
mp-1183351
-4.751756
-7.244477
3.660591
other
Ba6Nd2
8
194
426.2
mp-1184171
-7.002878
-4.263352
6.404489
other
Er2Al6
8
194
151.43
mp-975651
-7.245111
-6.919207
7.322432
other
Pr2Tm6
8
194
258.97
mp-1077814
-4.054549
-2.343485
-4.541592
other
Cs4S2
6
194
243.49
mp-1209010
-5.026871
-1.234855
4.625844
other
Sc4Be34
38
194
359.96
mp-19890
-5.521428
-1.306159
4.340232
other
U4Re8
12
194
218.52
mp-2039
-7.616698
-1.118348
5.088708
other
Sc4Mn8
12
194
203.54
mp-985547
-6.318229
-7.934104
6.046541
other
Ac6Sm2
8
194
344.64
mp-979292
-6.926338
-6.84672
7.203838
other
Sm2Y6
8
194
272.95
mp-1183525
-6.069134
-6.378439
5.837826
other
Ba2Ce6
8
194
267.54
mp-1183675
-8.249031
-4.543046
2.031733
other
Cd2Pd6
8
194
128.22
mp-1019054
-3.83239
-0.273032
2.534046
other
Re2C4
6
194
58.25
mp-1187971
-5.48617
-6.981154
4.620107
other
Yb6Si2
8
194
212.25
mp-1094259
-5.724912
-4.048247
4.141413
other
Hf6Mg2
8
194
174.57
mp-10000
-5.214569
-2.848473
3.346483
other
Hf4S2
6
194
115.54
mp-1183250
-7.89174
-7.12448
1.938466
other
Ag6Hg2
8
194
146.86
mp-1096994
0.836604
1.354112
2.738986
other
Hf2N2
4
194
46.07
mp-973685
-7.185497
-6.910012
7.272534
original
Nd2Ho6
8
194
264.47
mp-570571
-7.865961
-9.306819
6.408615
other
Th8Mg16
24
194
623.48
mp-1641
-6.251645
-3.19767
0.758552
other
Cr2Sb2
4
194
82.34
mp-1184730
-8.303178
-1.874271
2.947178
other
Hf2Ni6
8
194
103.06
mp-20868
-6.868939
0.274784
3.746341
other
Fe8W4
12
194
148.79
mp-30651
-6.258492
-6.042387
3.824327
other
Mg2Ga4
6
194
110.22
mp-1192189
17.599363
9.888559
7.157773
other
Mg12O12
24
194
223.28
mp-570923
-5.455941
-1.318045
4.070001
other
Y4Re8
12
194
223.78
mp-867281
-6.089463
-0.865954
3.934357
other
Tc6Pt2
8
194
115.12
mp-1187404
-5.6988
-3.100766
-1.732854
other
Te6Se2
8
194
230.18
mp-545512
9.467793
8.721772
1.960357
other
Ca2O2
4
194
66.03
mp-1187732
-7.744493
-7.708371
2.101926
other
V2Hg6
8
194
168.33
mp-1187553
-5.95802
-6.979582
1.699952
other
Tl6Sn2
8
194
238.98
mp-24082
-5.294095
-2.169165
3.433548
other
Ta2H1
3
21
38.83
mp-7925
-5.779386
-4.771786
1.342167
other
Ho1Sb2
3
21
85.23
mp-1018159
-5.914639
-4.757706
1.441225
other
Er1Sb2
3
21
84.75
mp-1018120
-5.838125
-4.834621
1.446242
other
Tm1Sb2
3
21
84.34
mp-1008902
-5.816278
-4.92989
1.154372
other
Lu1Sb2
3
21
89.45
mp-1223901
-6.263342
-5.688634
0.622388
other
In1Bi3
4
21
127.29
mp-1223650
-7.376225
-7.478906
1.742212
other
In1Hg3
4
21
114.43
mp-1216836
-5.616947
-1.42378
2.223402
other
V20As11
31
21
432.19
mp-976920
-5.420739
-1.033469
-4.065699
other
Ni18S16
34
21
474.78
mp-556454
15.549199
5.693062
0.362034
other
Si16O32
48
21
841.37
mp-1018127
-5.784186
-4.789242
1.422163
other
Tb1Sb2
3
21
86.09
mp-1018158
-5.797041
-4.788576
1.347142
other
Dy1Sb2
3
21
85.3
mp-1200685
15.601621
5.594455
0.307096
other
Si16O32
48
21
930.82
mp-1018112
-5.772317
-4.77812
1.313678
other
Y1Sb2
3
21
86.24
mp-695817
9.055571
2.070009
1.626335
other
Sc1F3
4
21
44.06
mp-1080639
-4.255257
-4.978841
-3.41076
other
Ce16Se32
48
21
4,304.55
mp-1218972
-6.740218
-6.129096
1.856954
other
Sn3Sb1
4
21
111.87
mp-638049
8.758684
5.135967
-2.233024
other
Si12O24
36
210
386.86
mp-558598
9.718097
5.651772
-1.980558
other
Si12O24
36
211
623.55
mp-1087555
-4.299901
-4.659425
-3.532736
other
Ce12Se24
36
211
2,270.57
mp-542730
-4.80523
0.011151
2.97767
other
V32C28
60
212
579.02
mp-496
-4.038034
-5.288565
5.572477
other
Sr4Si8
12
212
280.16
mp-510746
7.567991
13.179646
-1.607724
other
Fe20O32
52
212
596.88
mp-1102647
6.204975
2.995957
-2.815298
other
Na4C8
12
212
98.75
mp-571066
-6.378376
-6.31006
2.068214
other
K24Sn100
124
212
4,584.46
mp-7275
-3.978606
-5.382109
5.288571
other
Ba4Si8
12
212
308.94
mp-685129
-5.549781
-1.572298
-3.092788
other
Co34Se40
74
2
1,140.86
mp-1173644
-5.359973
-2.04179
-1.35883
other
Nb28Te24
52
2
1,213.64
mp-1073438
-2.166529
-5.855329
7.280107
other
Mg8Si12
20
2
404.18
mp-1188070
-8.473842
-5.976811
2.925312
other
Zn6Sn2
8
2
155.85
mp-1214764
7.596797
7.617911
-3.80652
other
B4O12
16
2
227.41
mp-2506981
12.757028
12.554141
-1.247399
other
V8O14
22
2
301.43
mp-1074123
-2.650064
-5.372419
7.074417
other
Mg8Si14
22
2
392.17
mp-1074307
-2.878342
-7.521538
7.562691
other
Mg8Si6
14
2
262.18
mp-1224501
8.173852
2.104455
-4.398522
other
H16N16
32
2
313.75
mp-1073016
-2.293701
-5.601513
7.294908
other
Mg4Si6
10
2
177.53
mp-995202
5.884304
2.025704
-2.946469
other
H2C12
14
2
131.19
mp-1080857
-4.256493
-4.98413
-3.423529
other
Ce16Se32
48
2
3,017.73
mp-1217447
-6.16331
-2.351766
-0.755298
other
Te20Rh14
34
2
772.15
mp-685088
-1.157052
1.418902
-1.811193
other
Sc24I50
74
2
2,644.22
mp-30518
12.570914
13.285759
-1.588954
other
V12O22
34
2
340.11
mp-1209298
-3.359829
-3.811772
0.466685
other
Rb2P30
32
2
798.93
mp-1404622
8.249916
1.714682
-0.605412
other
Bi2F10
12
2
226.06
mp-1433590
8.093952
2.504542
-1.04328
other
Sb2F13
15
2
250.66
mp-32813
12.842949
10.020551
1.981337
other
Ti9O10
19
2
204.16
mp-757058
10.161985
0.61249
-0.102085
original
Mn4F14
18
2
242.99
mp-567537
-1.196793
1.935414
-2.621794
other
Ta4I16
20
2
836.3
mp-1192827
-5.906799
-7.123875
3.763928
other
Eu16In6
22
2
813.78
mp-1271757
11.885484
13.619922
-2.309264
other
V4O8
12
2
155.75
mp-556724
11.75751
12.313176
1.915315
other
Ti14O26
40
2
422.5
mp-1196461
6.891383
2.473241
-2.892653
other
C156F84
240
2
2,818.17
mp-29263
-0.48859
0.767175
-3.743663
other
U2Br10
12
2
450.12
mp-555597
12.772935
13.1855
-1.237323
other
V8O14
22
2
221.52
mp-1073799
-2.309949
-6.799846
7.666231
other
Mg6Si6
12
2
224.76
mp-1073812
-2.30287
-6.897934
7.661395
other
Mg6Si6
12
2
232.97
mp-1078478
-2.809354
-7.492969
7.36793
other
Mg8Si6
14
2
292.64
mp-722729
1.375308
2.357022
-5.332478
other
Yb12Cl26
38
2
928.54
mp-1831269
8.214854
2.146076
-0.763964
other
Sb2F10
12
2
207.25
mp-684731
-3.962518
-0.090674
-4.403948
other
Ti13S24
37
2
711.85