mp_ID
stringlengths
4
10
x
float64
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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-19858
-4.927088
-7.599015
3.592071
other
Sr6
6
191
330.05
mp-672234
2.315014
2.689412
-3.446479
other
N4
4
198
176.13
mp-154
3.810182
3.260745
-3.584585
other
N8
8
198
196.64
mp-999498
6.337006
3.129052
-3.065514
other
N4
4
199
27.01
mp-1236935
-5.642834
-5.112647
0.402303
other
Sb14
14
2
463.87
mp-1179613
-5.604137
-5.133625
0.424249
other
Sb14
14
2
482.82
mp-1055423
-5.873262
-4.577553
3.811987
other
Pu4
4
2
71.56
mp-118
-3.456274
-3.793853
0.498846
other
P24
24
2
689.63
mp-1104795
-5.599568
-5.126173
0.401056
other
Sb14
14
2
477.02
mp-1179618
-5.617727
-5.117419
0.416728
other
Sb14
14
2
483.72
mp-1198724
-3.449064
-3.777047
0.502941
other
P42
42
2
1,005.51
mp-561513
-2.42429
-0.23205
-4.624966
other
S28
28
2
798.57
mp-569688
-4.073667
-7.015494
1.599534
other
Rb26
26
20
2,501.5
mp-604321
-4.080881
-7.016589
1.594046
other
Rb4
4
194
378.64
mp-113
-6.08325
-0.89946
4.089043
other
Tc2
2
194
28.5
mp-611426
5.84591
2.078751
-2.388389
other
C8
8
194
45.18
mp-87
-5.154801
-1.337871
4.668983
other
Be4
4
194
31.8
mp-976347
-7.276633
-1.235197
-2.024631
other
Kr4
4
194
198.11
mp-2647032
-7.686123
-1.63597
3.762866
other
Ir2
2
194
29.25
mp-153
-7.350179
-10.791956
5.44477
other
Mg2
2
194
44.8
mp-1184554
-7.230322
-7.63215
1.621853
other
Hg2
2
194
56.95
mp-1184113
-7.189525
-6.563401
6.626195
other
Er4
4
194
124.04
mp-1187875
-5.947835
-7.244252
4.333109
other
Yb4
4
194
161.62
mp-2647103
-5.605516
-2.640769
3.55606
other
Nb2
2
194
37.87
mp-8
-5.515646
-0.522132
3.687256
other
Re2
2
194
29.63
mp-867351
-6.085398
-0.90677
4.092726
other
Tc4
4
194
56.99
mp-973364
-7.336678
-10.79745
5.43589
other
Mg4
4
194
90.19
mp-1184709
-7.233047
-7.629993
1.622122
other
Hg4
4
194
113.51
mp-2646997
-8.379791
-4.115147
1.991323
other
Pd2
2
194
31.06
mp-112
-6.893492
-6.777708
7.078645
other
Y2
2
194
67.56
mp-1183144
-5.913682
-3.9503
5.741026
other
Al4
4
194
63.58
mp-2646993
-8.101256
-1.812456
3.431408
other
Rh2
2
194
28.6
mp-131
-5.569093
-3.921746
3.902103
other
Zr2
2
194
47
mp-1187717
-6.901676
-6.790877
7.090482
other
Y4
4
194
136.1
mp-1186367
-5.636945
-5.500183
5.347711
other
Pa2
2
194
49.51
mp-1066100
6.551664
5.622425
-3.356947
other
O4
4
194
40.86
mp-611448
5.865412
2.094616
-2.393068
other
C12
12
194
67.75
mp-155
-7.244027
-6.925106
7.028329
other
Gd2
2
194
67.79
mp-67
-7.308411
-5.602251
5.326958
other
Sc2
2
194
50.02
mp-639727
-4.135108
-6.661922
1.451501
other
Cs4
4
194
496.91
mp-132
-5.14465
-7.347625
3.830095
other
Ca4
4
194
174.27
mp-2647044
-5.529696
-2.862475
3.583789
other
Ta2
2
194
37.64
mp-1008733
-5.288904
-4.998682
2.967504
other
Ge2
2
194
36.51
mp-144
-7.247533
-6.81954
7.157487
other
Ho2
2
194
62.73
mp-973986
-7.241139
-6.814262
7.157585
other
Ho4
4
194
124.19
mp-54
-8.246089
-0.163359
3.69839
other
Co2
2
194
21.28
mp-1066523
-6.022701
-0.625438
3.429164
other
Mo4
4
194
63.02
mp-1184755
-4.054723
-7.109861
1.80262
other
K2
2
194
153.79
mp-570752
3.450266
-0.257992
-2.466243
other
H2
2
194
89.12
mp-1120747
-3.940857
-4.934712
5.806733
other
Si6
6
194
95.34
mp-68
-7.121723
-6.920017
7.372229
other
Sm2
2
194
68.71
mp-570510
0.259518
4.30895
-2.221596
other
Xe2
2
194
132.01
mp-1203790
-3.990451
-4.898426
5.645328
other
Si68
68
194
1,579.41
mp-1186444
-6.312217
-6.898636
2.328024
other
Pb4
4
194
123.65
mp-48
5.600871
1.984204
-2.733345
other
C4
4
194
41.14
mp-606949
5.597003
1.997559
-2.76433
other
C12
12
194
154.09
mp-976411
-6.068067
-6.878205
3.347561
other
Li4
4
194
81.46
mp-103
-5.750368
-4.001371
4.195543
original
Hf2
2
194
44.53
mp-2647022
-8.006423
-2.789567
2.574853
other
Pt2
2
194
31.63
mp-1184511
-6.803637
-6.42973
2.542224
other
In4
4
194
105.83
mp-10649
-4.169327
-4.833156
5.552854
other
Si2
2
194
27.73
mp-79
-9.271904
-5.672101
3.224071
other
Zn2
2
194
28.85
mp-616440
5.875173
2.102463
-2.395402
other
C16
16
194
90.32
mp-136
-7.048644
0.480859
3.976709
other
Fe2
2
194
19.71
mp-8566
-7.906035
-6.618374
1.976741
other
Ag4
4
194
69.46
mp-38
-7.069273
-6.946083
7.44122
other
Pr4
4
194
146.18
mp-1183591
-7.545504
-6.813513
2.196306
other
Cd4
4
194
86.42
mp-23156
-2.801349
-8.322088
1.270717
other
He2
2
194
32.36
mp-1183710
-8.258267
-0.158782
3.711267
other
Co4
4
194
42.75
mp-571249
-7.031585
-6.630414
6.955592
other
Tb6
6
194
195.07
mp-33
-7.338862
-1.316473
4.176255
other
Ru2
2
194
27.1
mp-99
-7.164453
-6.544839
6.608337
other
Er2
2
194
61.41
mp-989695
-9.421031
-4.564295
3.638924
other
Cu4
4
194
45.83
mp-12103
2.238034
2.691344
-3.481957
other
N2
2
194
74.54
mp-672233
3.786607
3.30204
-3.534713
other
N4
4
194
105.37
mp-604318
-4.056213
-7.108501
1.800323
other
K4
4
194
309.14
mp-1007760
-5.449842
-5.273297
3.41059
other
Ge4
4
194
91.33
mp-145
-7.666418
-6.649378
7.002226
other
Lu2
2
194
58.37
mp-982370
-5.028944
-7.392878
2.963415
other
Na4
4
194
148.67
mp-999501
-4.982336
-7.4116
2.920575
other
Na4
4
194
159.61
mp-69
-7.104166
-6.906429
7.362523
original
Sm4
4
194
135.21
mp-2647008
-5.848933
-4.142441
5.788727
other
Al2
2
194
33.34
mp-989782
-9.426151
-4.563486
3.640121
other
Cu2
2
194
22.87
mp-862690
-6.401365
-7.958996
5.457387
other
Ac4
4
194
184.55
mp-1186901
-5.513728
-0.502296
3.677621
other
Re4
4
194
59.24
mp-143
-7.341944
-6.81126
7.154602
other
Tm2
2
194
60.4
mp-2647013
-5.983498
-0.673051
3.441574
other
Mo2
2
194
32.35
mp-24504
4.105124
-0.276498
-2.816438
other
H4
4
194
64.45
mp-20372
-6.043703
-6.045896
5.698192
original
Ce4
4
194
103.68
mp-1008634
-8.569799
-5.661536
2.016811
other
Au2
2
194
35.3
mp-867202
-4.988248
-7.581932
3.525276
other
Sr4
4
194
227.27
mp-2646990
-5.979848
-0.653354
3.606919
other
W2
2
194
33.23
mp-11832
-4.135099
-6.661922
1.451495
other
Cs2
2
194
248.43
mp-1184367
-5.615624
-7.325959
3.965726
other
Eu4
4
194
175.4
mp-1186916
-8.097484
-1.677591
3.4606
other
Rh4
4
194
55.21
mp-1059256
-7.085678
-6.956838
7.447744
other
Pr2
2
194
74.09
mp-568145
-2.984636
-8.308195
1.223077
other
Ar2
2
194
91.16
mp-19981
-7.244023
-6.926295
7.022688
other
Gd4
4
194
136.32
mp-867200
-6.858331
-7.234515
7.122972
other
Pm4
4
194
138.09
mp-49
-7.455825
-1.360409
4.453377
other
Os2
2
194
28.25