mp_ID
stringlengths
4
10
x
float64
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17.7
y
float64
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23.9
z
float64
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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-32
-5.459526
-5.277857
3.408998
other
Ge2
2
227
45.69
mp-1072089
-8.29241
-0.222236
3.785077
other
Co6
6
227
66.61
mp-117
-6.555687
-6.198092
2.058385
other
Sn2
2
227
70.9
mp-12771
-4.440799
-1.988655
-3.447441
other
Se2
2
227
61.07
mp-1057818
6.660359
5.674109
-2.895452
other
O2
2
227
20.46
mp-149
-4.025627
-4.896051
5.696979
other
Si2
2
227
40.33
mp-1247117
-6.51555
-7.135496
2.418793
other
Pb2
2
227
81.34
mp-1198022
-5.466897
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3.355296
other
Ge34
34
227
886.74
mp-66
5.902194
2.128521
-2.415964
other
C2
2
227
11.29
mp-16220
-3.949594
-4.951481
5.814952
other
Si34
34
227
790.43
mp-1197020
-5.54257
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3.483023
other
Ge34
34
227
911.86
mp-122
-4.706995
-7.320967
3.347228
other
Ba2
2
229
130
mp-7162
-6.700808
-6.123119
1.92459
other
Sn1
1
229
27.2
mp-2647057
-8.221951
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3.707004
other
Co1
1
229
11.03
mp-10751
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-6.877684
7.289027
other
Dy1
1
229
32.02
mp-1014212
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5.575643
other
Si1
1
229
13.86
mp-63
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7.445477
other
Pr1
1
229
36.91
mp-41
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3.90602
other
Zr1
1
229
22.97
mp-1
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1.443911
other
Cs1
1
229
122.48
mp-10753
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6.648331
other
Er1
1
229
30.95
mp-1072544
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5.700541
other
Si6
6
229
148.52
mp-4
-7.081114
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7.280569
other
Nd1
1
229
35.76
mp-146
-6.266138
-0.917443
3.86281
other
V1
1
229
13.26
mp-71
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-7.257554
4.374623
other
Yb1
1
229
39.84
mp-2647037
-5.518447
-0.577703
3.734228
other
Re1
1
229
15.21
mp-2647135
-7.597402
-6.800426
2.215547
other
Cd1
1
229
22.72
mp-2646977
-8.444725
-4.146858
2.000525
other
Pd1
1
229
15.55
mp-127
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-7.395706
2.963748
original
Na1
1
229
37.26
mp-22692
-6.308151
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2.326683
other
Pb1
1
229
31.03
mp-2647117
-9.237117
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3.128415
other
Zn1
1
229
15.45
mp-119
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-1.57083
-3.799326
other
Se1
1
229
19.77
mp-974400
-7.273468
-1.23037
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other
Kr1
1
229
56.08
mp-135
-6.060558
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3.346107
original
Li1
1
229
20.34
mp-998860
-5.882612
-4.037784
5.743822
other
Al1
1
229
16.12
mp-632250
3.356772
-0.198393
-2.528104
other
H1
1
229
70.71
mp-10641
-7.327067
-5.56994
5.311512
other
Sc4
4
229
100.63
mp-2647000
-8.27256
-1.887688
3.46514
other
Rh1
1
229
14.71
mp-10023
-6.661742
-6.648629
6.507489
other
La1
1
229
38.32
mp-7761
-5.809983
-5.079156
0.577255
other
Sb1
1
229
26.21
mp-2647062
-8.573099
-5.719478
2.007919
other
Au1
1
229
18.21
mp-90
-6.568058
-0.730605
3.987497
other
Cr2
2
229
26.17
mp-20071
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-7.314209
3.939903
other
Eu1
1
229
45.19
mp-11343
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6.039623
other
Th1
1
229
32.9
mp-979285
0.240913
4.294671
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other
Xe1
1
229
67.07
mp-129
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3.40976
other
Mo1
1
229
15.89
mp-1008728
-8.918842
-1.121631
2.6693
other
Ni1
1
229
10.6
mp-568610
-6.412977
-5.568482
0.434324
other
Bi1
1
229
31.12
mp-70
-4.064362
-7.01482
1.593185
other
Rb8
8
229
755.52
mp-75
-5.647897
-2.526682
3.56302
original
Nb1
1
229
18.26
mp-10207
-4.646502
-4.918814
4.10007
other
Np1
1
229
16.4
mp-2646971
-7.893984
-6.613862
1.971282
other
Ag1
1
229
18.15
mp-10661
-7.36068
-6.831229
7.170219
other
Tm1
1
229
30.61
mp-110
-7.333922
-10.786164
5.462241
original
Mg1
1
229
22.29
mp-10024
-6.147965
-6.08147
5.83652
other
Ce1
1
229
29.35
mp-11421
-7.246745
-6.928667
7.034674
other
Gd1
1
229
33.69
mp-108
-5.184919
-3.662158
3.548215
other
U1
1
229
18.69
mp-91
-5.959068
-0.586727
3.514352
other
W1
1
229
15.93
mp-998883
-5.347505
-5.011118
3.006461
other
Ge1
1
229
18.19
mp-100
-5.745235
-3.995626
4.198892
other
Hf1
1
229
22.09
mp-95
-4.976655
-7.566049
3.548798
other
Sr1
1
229
55.45
mp-20
-5.177783
-1.307038
4.696586
other
Be1
1
229
7.87
mp-13
-7.582205
0.483915
4.008955
original
Fe2
2
229
23.47
mp-684663
-0.529961
1.894218
-3.232921
other
I1
1
229
36.48
mp-2647047
-7.775486
-1.740301
3.783105
other
Ir1
1
229
15.17
mp-10190
-7.631996
-6.665805
7.018226
other
Lu1
1
229
29.85
mp-1063988
-3.463498
-1.448048
-4.312877
other
S4
4
229
62.53
mp-73
-5.412197
-3.106502
3.788124
other
Ti1
1
229
17.19
mp-21
-5.135034
-7.342604
3.856375
other
Ca1
1
229
42.72
mp-107
-6.006716
-4.627454
4.149831
other
Pu1
1
229
15.24
mp-570002
5.791718
2.397659
-2.370993
other
C8
8
229
56.81
mp-673171
0.866094
2.106247
-3.540861
other
Br1
1
229
26.42
mp-1184478
-6.802844
-6.418632
2.557599
other
In1
1
229
26.69
mp-50
-5.553593
-2.815963
3.556751
original
Ta1
1
229
18.13
mp-39
-6.066387
-7.141966
1.90838
other
Tl1
1
229
29.93
mp-1055908
-7.117276
-0.48923
4.138296
other
Mn1
1
229
10.82
mp-7236
-7.254622
-6.827603
7.16191
other
Ho1
1
229
31.55
mp-23158
-2.800195
-8.323603
1.273061
other
He1
1
229
17.29
mp-998890
-9.421173
-4.567705
3.646893
other
Cu1
1
229
11.46
mp-1017981
-7.29926
-7.599573
1.635407
other
Hg4
4
229
108.02
mp-2646979
-7.991347
-2.836238
2.568112
other
Pt1
1
229
15.9
mp-11446
-7.039465
-6.64107
6.965978
other
Tb1
1
229
32.53
mp-58
-4.057494
-7.095177
1.789144
original
K1
1
229
78.52
mp-2647031
-7.466937
-1.286219
4.464309
other
Os1
1
229
14.87
mp-1178952
-5.847219
-3.139928
-1.738504
other
Te4
4
26
133.43
mp-21377
-7.10461
-6.906931
7.362697
other
Sm1
1
225
33.83
mp-111
-3.07317
-8.284818
1.277352
other
Ne1
1
225
18.46
mp-23
-8.950669
-1.082578
2.718664
other
Ni1
1
225
10.49
mp-23155
-2.984673
-8.30819
1.223108
other
Ar1
1
225
38.57
mp-2
-8.362813
-4.10673
1.995921
other
Pd1
1
225
15.03
mp-10740
-5.650087
-5.48485
5.321324
other
Pa1
1
225
25.21
mp-753304
-7.280359
-7.609626
1.627018
other
Hg1
1
225
27.37
mp-1096861
-7.555898
-6.815264
2.195559
other
Cd1
1
225
21.83
mp-674158
-3.301375
-5.528595
1.165261
other
P1
1
225
121.3
mp-1056702
-7.33115
-10.800469
5.433466
other
Mg1
1
225
22.61
mp-126
-7.997663
-2.652304
2.716512
other
Pt1
1
225
15.33
mp-150
-7.656642
0.529004
3.950299
other
Fe1
1
225
12.21
mp-124
-7.905169
-6.621699
1.975989
original
Ag1
1
225
17.29
mp-611517
0.248791
4.298083
-2.227395
other
Xe1
1
225
68.43
mp-8637
-6.030022
-0.631416
3.429192
other
Mo1
1
225
15.73
mp-8640
-5.752316
-4.005672
4.197371
other
Hf1
1
225
22.34