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-1093705
-3.693378
-7.22661
1.343271
other
K2Hg1Se1
4
71
1,266.13
mp-1095890
-2.94911
-8.213697
1.517519
other
Ca1Mg1In2
4
71
1,734.22
mp-1093742
-1.971008
-8.363831
2.13518
other
Hf2Fe1Cu1
4
71
928.81
mp-1096022
-2.503542
-8.492764
1.613336
other
Li1Ti1Au2
4
71
839.01
mp-1104485
-7.512097
0.080835
4.786017
other
Y1Ga6Fe6
13
71
187.33
mp-1093833
-1.952741
-8.348765
2.170482
other
Hf2Re1Hg1
4
71
916.44
mp-1225087
-7.687674
0.756242
4.751198
other
Er1Cr2Fe10
13
71
164.78
mp-9577
-4.196296
-5.453093
5.419247
other
Ca3Al2Si2
7
71
171.79
mp-1445738
8.517612
1.258879
0.53972
other
Y1Ni1F5
7
71
117.36
mp-1097630
-1.839535
-8.302275
2.300046
other
Ta1Cr1Re2
4
71
799
mp-1093941
-1.583521
-8.174194
2.344528
other
Ta2Ti1Re1
4
71
889.15
mp-1095765
-3.220991
-8.224027
1.591361
other
Sr1Li2Tl1
4
71
1,484.67
mp-1097360
-4.055163
-6.961808
1.513694
other
Ba2Sb1I1
4
71
1,669.7
mp-1097344
-2.565204
-8.548379
1.319719
other
Cu1Hg1Pd2
4
71
882.14
mp-1096690
-2.93117
-8.216653
1.596582
other
Li1Ca2Pt1
4
71
1,158.15
mp-1096710
-1.617911
-8.382967
2.25618
other
Ti1V2W1
4
71
676.6
mp-1097256
-2.959756
-8.461252
1.469689
other
Li2Ga1Hg1
4
71
938
mp-3683
-7.980844
-4.404533
4.529375
other
Ho3Cu4Ge4
11
71
189.12
mp-1069533
1.834288
1.78666
2.575609
other
Hf2S1N2
5
71
81.34
mp-1255731
-1.829022
-8.429818
1.696106
other
Al2Os1Ru1
4
71
149.35
mp-1097415
-2.241372
-8.579668
1.448666
other
Zn2Ni1Pt1
4
71
526.62
mp-1097346
-3.218955
-8.406967
1.420322
other
Tl1In1Pb2
4
71
1,456.19
mp-1097509
-2.639276
-8.427701
1.841434
other
Zr1Sc1Cd2
4
71
1,349.33
mp-1096112
-2.077356
-8.309066
2.020143
other
Hf2Co1Cu1
4
71
596.28
mp-1095846
-3.68183
-7.700133
1.637626
other
Ba2Na1Pb1
4
71
2,030.07
mp-1216988
-7.495616
0.792033
4.680141
other
Tm1V2Fe10
13
71
167.13
mp-5495
8.030896
9.674494
-0.87343
other
Ag2Pd1O2
5
71
71.74
mp-1093841
-2.110285
-8.304279
1.886458
other
Mn1Fe2Ge1
4
71
526.59
mp-1097076
-1.578845
-8.384303
2.064995
other
Hf1Ti1Ru2
4
71
729.39
mp-5454
-5.305774
-4.021698
5.411223
other
Er3Cu4Si4
11
71
178.63
mp-707376
10.907254
11.932848
2.725521
other
Na1Nb14O36
51
71
753.13
mp-1096507
-2.918869
-8.267634
1.328107
other
Na1Mg2Hg1
4
71
1,349.35
mp-1093690
-3.053327
-8.250605
1.817348
other
Li1La2In1
4
71
1,344.45
mp-1097380
-3.106216
-8.250476
1.570686
other
Li1Ca2Ag1
4
71
1,414.97
mp-1205488
-5.173603
-4.246879
5.211171
other
Yb3Cu4Si4
11
71
185.55
mp-865734
-3.61464
-4.003227
0.819103
other
Li5Cu4P6
15
71
209.49
mp-556953
-2.382087
-0.446032
-5.362788
other
Rb2P2S6
10
71
282.47
mp-1096345
-1.810552
-8.537399
1.812843
other
Al1Ga1Ru2
4
71
712.68
mp-1093811
-2.79913
-8.441783
1.746375
other
Y2Cd1Au1
4
71
1,352.28
mp-1096605
-1.77348
-8.538539
1.939033
other
Ga1Fe1Ru2
4
71
798.86
mp-1096413
-2.77268
-8.438299
1.436384
other
Li1Cu1Ag2
4
71
840.68
mp-1095988
-3.289438
-8.317761
1.560149
other
Sr2Ag1Hg1
4
71
1,683.42
mp-1093592
-2.970858
-8.304183
1.362645
other
Li2Sn1Bi1
4
71
1,057.94
mp-1097097
-1.859318
-8.306909
2.191529
other
Hf2Al1Re1
4
71
849.48
mp-1224097
6.66894
5.239629
-4.4991
other
K4N2O5
11
71
221.28
mp-1093932
-1.903762
-8.227164
2.024065
other
Hf2Co1Ni1
4
71
683.59
mp-1096575
-1.93896
-8.458235
2.09154
other
Al1Cr2W1
4
71
812.64
mp-1095963
-2.010156
-8.327092
2.008448
other
Hf2Mn1Zn1
4
71
909.98
mp-1096081
-1.864726
-8.490661
1.948667
other
Zr1Si1Ru2
4
71
760.65
mp-1096741
-2.721967
-8.324859
1.764396
other
Y2Ga1Ag1
4
71
1,247.86
mp-1217843
-7.299264
0.664596
4.577721
other
Tb1Fe10Si2
13
71
165.06
mp-1095887
-2.130455
-8.425616
1.669696
other
Al2Co1Rh1
4
71
623.24
mp-1097455
-1.775911
-8.286032
2.112424
other
Ti1Mn2Nb1
4
71
673.61
mp-1096174
-2.848354
-8.366906
1.601895
other
Y1Zn2Cd1
4
71
1,166.15
mp-10671
-5.53376
-6.322181
3.985815
other
Sr3Al2Ge2
7
71
198.21
mp-1096039
-2.448521
-8.425961
1.403534
other
Mn1Ag1Pd2
4
71
821.09
mp-1096535
-3.752695
-8.246735
1.144193
other
Tl2Hg1Bi1
4
71
1,325.95
mp-1093773
-2.249235
-8.33235
1.869942
other
Sc2Be1Os1
4
71
856.02
mp-1095653
-7.981841
-4.699093
4.186898
other
Yb3Cu4Ge4
11
71
194.2
mp-1096681
-2.318246
-8.547127
1.292851
other
Cd1Sb1Rh2
4
71
863.34
mp-7573
-5.62835
0.255138
3.21318
other
Co1B2W2
5
71
50.93
mp-1096366
-1.945521
-8.354832
2.142944
other
Zr2Be1Tc1
4
71
899.25
mp-1246793
0.178097
2.475047
1.958413
other
Mn10Fe1N8
19
71
203.75
mp-1095772
-2.984257
-8.357926
1.553223
other
Li2Tl1In1
4
71
1,147.94
mp-1093944
-1.552663
-8.324793
2.22705
other
Ta1V1Tc2
4
71
839.75
mp-1096557
-2.932359
-8.184029
1.346863
other
Na1Mg2In1
4
71
1,337.67
mp-1097080
-1.939439
-8.363768
2.083458
other
Hf2Zn1Tc1
4
71
878.66
mp-1068035
-7.591181
-5.853098
3.572425
other
Ca2Mg1Pd2
5
71
113.52
mp-1097614
-1.628494
-8.227208
2.209447
other
Ti2Mn1Mo1
4
71
825.28
mp-1096192
-2.828959
-8.297161
1.492519
other
Li1Mg1In2
4
71
1,132.76
mp-1219448
-3.005983
-3.79123
-3.625688
other
Sm4Gd1S5
10
71
245
mp-10068
1.476372
1.951281
1.872392
other
Ce2Mn1N3
6
71
82.75
mp-1095025
-4.293249
1.499617
3.117816
other
Pr1Cr2B6
9
71
85.77
mp-1097308
-1.686342
-8.279083
2.184632
other
Ti2Ga1W1
4
71
783.3
mp-1097611
-2.633176
-8.612592
1.452322
other
Ga1Cu1Au2
4
71
731.73
mp-568050
0.308568
0.597554
-2.852013
other
Ca3Si1Br2
6
71
178.29
mp-1096199
-2.909054
-8.374281
1.779461
other
Y2Pb1Au1
4
71
1,404.57
mp-1096181
-3.04223
-8.251234
1.569468
other
Ca2Ga1Ag1
4
71
1,341.14
mp-1095827
-2.173871
-8.307343
2.175953
other
Re1Si2Tc1
4
71
692.02
mp-1096180
-2.345923
-8.442597
1.695506
other
Li1Zr1Pd2
4
71
894.83
mp-1096122
-1.779346
-8.664355
2.036491
other
Be1Cr1Os2
4
71
611.68
mp-1097184
-1.908534
-8.194088
2.024639
other
Ta1Mn2V1
4
71
770.38
mp-1095779
-2.210946
-8.319823
1.579937
other
Al1Ga1Ni2
4
71
590.04
mp-1097459
-3.638124
-5.758049
0.338318
other
Rb2Au1Br1
4
71
1,478.47
mp-1097274
-4.13948
-6.615382
1.477831
other
K2Rb1As1
4
71
2,402.71
mp-1096513
-1.878956
-8.192557
2.251254
other
Ta2Cu1Re1
4
71
763.15
mp-752529
-4.285401
-0.978695
-5.668926
other
Li5Cr1S4
10
71
165.57
mp-567443
-7.396111
-1.806085
3.112207
other
Sc12Si21Ni36
69
71
877.28
mp-1096478
-3.09057
-8.64061
1.400948
other
Ca1Sc1Hg2
4
71
1,350.87
mp-1096400
-4.13482
-7.266338
1.465632
other
Cs2Cd1Hg1
4
71
2,236.45
mp-1069771
-4.60541
-2.703316
-3.639292
other
Rb2Pd1Se2
5
71
148.22
mp-1216200
-6.965598
-1.378591
5.293091
other
Y1Mn6Al6
13
71
187.1
mp-1097106
-1.456669
-8.298798
2.246953
other
Ti2Mo1Os1
4
71
727.17
mp-1097320
-1.551705
-8.311544
2.350701
other
Nb1Re2Mo1
4
71
769.06
mp-1096277
-2.664953
-8.470409
1.354363
other
Cd1Pd2Pb1
4
71
1,027.62
mp-1216058
-2.639709
-2.605885
-5.677542
other
Y2Te1S2
5
71
151.23
mp-1097338
-3.245392
-8.239032
1.626411
other
Ca2Zn1Pb1
4
71
1,570.92
mp-1096314
-3.142641
-8.377731
1.805202
other
La2Ag1Pb1
4
71
1,801.37
mp-1097123
-2.379502
-8.413868
1.401377
other
Mg1Bi1Rh2
4
71
915.87
mp-1097110
-2.701447
-8.435927
1.665929
other
Y1Sc1Ag2
4
71
1,167.14