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-1097146
-1.830015
-8.236838
2.114655
other
Hf1Ta1Mn2
4
71
704.85
mp-1096516
-3.030249
-8.248245
1.593072
other
Ca2Ag1Pd1
4
71
1,242.61
mp-1093775
-3.297082
-8.648216
1.193788
other
Na1Ca1Hg2
4
71
1,316.25
mp-1096745
-2.427801
-8.293891
1.845814
other
Y2Cu1Os1
4
71
988.67
mp-1096294
-1.595219
-8.159906
2.246148
other
Ta2Re1Os1
4
71
755.19
mp-1225071
-8.738254
-4.258605
4.709314
other
Er1Al6Cu6
13
71
183.48
mp-1096288
-2.372251
-8.224578
2.047947
other
Li1Si2Ir1
4
71
496.11
mp-30472
-7.605274
-6.421905
3.966098
other
Ca2Ga1Cu2
5
71
102.54
mp-1206722
-5.269278
-3.686421
5.590437
other
Ce3Si4Ni4
11
71
189.97
mp-1096090
-3.479325
-8.344367
1.240277
other
Na1Tl2Hg1
4
71
1,473.67
mp-1220649
10.921556
11.411582
2.381023
other
Nb3O5F5
13
71
195.93
mp-1096244
-1.672913
-8.267894
2.1604
other
Ti1Tc2Ge1
4
71
743.97
mp-1096723
-2.388786
-8.448346
1.588611
other
Hf1Sn1Pd2
4
71
921.3
mp-1096031
-3.702533
-7.705832
1.686406
other
Ba2Tl1Au1
4
71
1,885.81
mp-1093669
-1.985962
-8.492007
2.088086
other
Zr2Fe1Pt1
4
71
866.82
mp-1097125
-2.948308
-8.559828
1.299462
other
In2Sn1Hg1
4
71
1,217.62
mp-756593
8.708049
2.204818
0.354982
other
Ta3O5F5
13
71
197.87
mp-1097579
-2.660294
-8.1957
1.671818
other
Li1Al1Ga2
4
71
798.24
mp-1095823
-2.46108
-8.487411
1.413611
other
Zn2Ag1Ir1
4
71
821.89
mp-13535
-8.32034
-5.198309
5.79619
other
Tb2Zn1Ni2
5
71
90.86
mp-1093831
-2.103396
-8.380008
1.766929
other
Zr1Cu1Rh2
4
71
808.72
mp-1097128
-2.907798
-8.341116
1.758967
other
Y2Cd1Pb1
4
71
1,472.53
mp-1096695
-3.623937
-8.22125
1.16306
other
Tl2Hg1Sb1
4
71
1,258.37
mp-1097159
-1.883419
-8.483249
2.077058
other
Zr2Tc1Pt1
4
71
830.33
mp-1225184
-7.391243
0.432248
4.380329
other
Er1Fe10Re2
13
71
170.88
mp-1103265
-8.022935
-4.434917
4.567419
other
Y3Cu4Ge4
11
71
196.74
mp-1096193
-1.917223
-8.386338
2.171259
other
Zr2Cr1Tc1
4
71
955.27
mp-1096182
-3.032182
-8.34402
1.529776
other
Ca2Cd1Au1
4
71
1,468.01
mp-1095735
-1.437639
-8.335219
2.289858
other
Ta2Mo1Pt1
4
71
776.54
mp-1097370
-3.161031
-8.060386
1.733074
other
Ca2Mg1Ga1
4
71
1,465.33
mp-1096578
-2.866031
-8.3305
1.765188
other
Y2Tl1Zn1
4
71
1,470.04
mp-1097624
-3.285378
-8.066602
1.663004
other
Sr1Ca1Zn2
4
71
1,574.99
mp-753236
9.911322
1.708406
1.721377
other
Li5V1F8
14
71
148.36
mp-1097404
-1.526404
-8.060137
2.313151
other
Ta2Mn1Mo1
4
71
746.96
mp-1105006
-7.879042
-5.508104
4.938248
other
Dy3Ga8Ag3
14
71
270.84
mp-1216275
-8.937289
-5.254547
3.713614
other
Y1In6Cu6
13
71
226.9
mp-1097122
-2.085503
-8.527536
1.83697
other
Be2Ir1Rh1
4
71
514.03
mp-1096095
-1.874366
-8.308034
2.191309
other
Hf2Zn1Mo1
4
71
955.98
mp-1096354
-1.595428
-8.140473
2.263413
other
Ta2Fe1Re1
4
71
681.52
mp-1096172
-2.805528
-8.323931
1.505844
other
Li2Ga1Sn1
4
71
955.22
mp-1096151
-3.113978
-8.069197
1.694831
other
Ca2Zn1Ge1
4
71
1,249.44
mp-1217855
-8.521874
-1.550231
2.724789
other
Tb1Si2Ni10
13
71
159.41
mp-1096755
-3.24412
-7.992741
1.793239
other
Sr2Li1Rh1
4
71
1,314.88
mp-1097436
-2.640874
-8.478344
1.756973
other
Y1Zr1Au2
4
71
1,138.65
mp-1097508
-2.690291
-8.501653
1.737171
other
La1Zr1Au2
4
71
1,197.94
mp-1097655
-2.352422
-8.405536
1.814228
other
Sc2Cd1Os1
4
71
1,076.79
mp-1095933
-2.418131
-8.373096
1.629674
other
Mg1Si1Pd2
4
71
856.32
mp-1096383
-1.692112
-8.511517
2.22077
other
Ga1Re1Tc2
4
71
747.12
mp-1103954
-8.194942
-3.78785
5.035992
other
Tb3Ga8Ir3
14
71
259.04
mp-1212180
-8.186997
-6.397812
6.636241
other
Ho12In2Co4
18
71
444.75
mp-1096010
-0.555236
1.994305
-4.00331
other
Cs2I1Br1
4
71
1,788.52
mp-1221325
7.649487
10.740726
-0.468515
other
Na2Pt1O3
6
71
70.16
mp-1093673
-2.835187
-8.424817
1.493565
other
Li1Ca1Au2
4
71
1,108.18
mp-1093960
-2.986933
-8.669728
1.52474
other
Y1Sc1Hg2
4
71
1,412.13
mp-1093661
-2.145718
-8.398621
2.053822
other
Zr2Cu1Ir1
4
71
846.6
mp-1096101
-2.414157
-8.393941
1.798954
other
Sc2Al1Pd1
4
71
903.73
mp-1096381
-2.505801
-8.534603
1.312268
other
Ag1Sn1Pd2
4
71
873.79
mp-1097329
-1.536956
-8.14524
2.409132
other
Ta1Ti1Nb2
4
71
832.44
mp-1188577
-7.798336
-4.077539
3.710576
other
Tm4Ge8Pt4
16
71
309.38
mp-1102842
-6.487514
-5.038734
5.269203
other
Li4Nd3Ge4
11
71
224.77
mp-1097077
-3.108598
-8.549684
1.363389
other
In2Hg1Pb1
4
71
1,309
mp-1093671
-3.12708
-8.428885
1.380835
other
Na1Li2Hg1
4
71
1,164.48
mp-1069706
-4.674081
-2.710537
-3.573437
other
K2Pd1Se2
5
71
135.75
mp-1097379
-1.421872
-8.186378
2.453879
other
Ti1Nb2Mo1
4
71
849
mp-1093699
-3.124465
-8.660107
1.198982
other
Li1Mg1Hg2
4
71
1,092.69
mp-1096259
-2.475463
-8.523899
1.820374
other
Zr2Hg1Au1
4
71
1,123.54
mp-1096291
-2.777535
-8.409214
1.706102
other
Sc2Tl1Au1
4
71
1,275.13
mp-1097185
-2.591933
-8.421176
1.475506
other
Li1Zn2Co1
4
71
754.94
mp-22808
-7.909765
-6.458685
3.392823
other
Dy3Ag4Sn4
11
71
260.25
mp-1096253
-2.962376
-8.267247
1.53032
other
Li2Zn1Cd1
4
71
1,027.75
mp-1096223
-2.212559
-8.48928
1.804664
other
Ti1Be1Cu2
4
71
503.24
mp-1097075
-2.771696
-8.330742
1.615826
other
Sc1Tl1Cu2
4
71
932.76
mp-1095813
-3.027683
-8.389967
1.50224
other
Ca2Ga1Hg1
4
71
1,383.42
mp-1097305
-1.902204
-8.397262
2.108124
other
Zr2Mn1Os1
4
71
814.34
mp-1220006
-9.000114
-5.241714
3.728427
other
Pr1In6Cu6
13
71
240.63
mp-1096628
-2.999734
-8.305622
1.774415
other
La2Cd1In1
4
71
1,408.57
mp-1097443
-1.50635
-8.297723
2.258585
other
Nb2V1Ru1
4
71
698.81
mp-1222431
-7.655919
0.756116
4.726721
other
Lu1Cr2Fe10
13
71
162.7
mp-1097306
-2.333965
-8.290682
1.817748
other
Mn2Cr1Si1
4
71
683.91
mp-1096188
-1.665438
-8.131015
2.219845
other
Ta2V1Rh1
4
71
703.74
mp-1096622
-3.12493
-8.092977
1.788863
other
Li2Ca1Al1
4
71
1,342.08
mp-1095757
-2.518529
-8.578335
1.36049
other
Sn1Pd2Au1
4
71
870.76
mp-1095820
-2.468656
-8.489019
1.463488
other
In1Ni2Au1
4
71
732.38
mp-1097497
-2.396172
-8.454235
1.367763
other
Ca1Sb1Rh2
4
71
967.22
mp-1097283
-2.567438
-8.495176
1.638932
other
Li1Hf1Au2
4
71
969.38
mp-1096076
-2.337316
-8.574243
1.47074
other
Zn1Ni1Pd2
4
71
730.04
mp-1095864
-2.344438
-8.362913
1.726923
other
Sc2Ga1Rh1
4
71
877.58
mp-1096350
-1.724671
-8.383916
2.182141
other
Fe1Tc2Ge1
4
71
717.6
mp-1096722
-2.786549
-8.321198
1.596521
other
Li2Zn1Cu1
4
71
766.63
mp-1097198
-2.427599
-8.200784
1.686141
other
Y2Ni1Rh1
4
71
1,331.68
mp-1096115
-2.442726
-8.539344
1.48028
other
Li1Pd2Au1
4
71
798.83
mp-1096489
-2.261102
-8.433549
1.48835
other
In1Cu1Rh2
4
71
809.58
mp-1097431
-2.492497
-8.534987
1.470782
other
Sc1Hg1Pd2
4
71
896.26
mp-1097232
-2.735332
-8.399743
1.728461
other
Y2Zn1Ag1
4
71
1,261.91
mp-1095969
-1.802426
-8.228581
2.178766
other
Mn1Nb2Cr1
4
71
774.05
mp-1096584
-2.275151
-8.311171
1.774499
other
Li1Ga2Tc1
4
71
767.02
mp-1216170
-7.505352
0.823288
4.724384
other
Y1V2Fe10
13
71
168.64
mp-1216227
-7.373938
0.470892
4.424037
other
Y1Fe10Re2
13
71
171.47
mp-1096687
-2.977116
-8.458838
1.418569
other
Na1Pb1Au2
4
71
1,115.21
mp-1096198
-2.113708
-8.528915
1.490439
other
Mn1Be1Pt2
4
71
564.96