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-1096750
-1.840353
-8.419222
1.823434
other
Zr1In1Ru2
4
71
835.79
mp-1093745
-2.34376
-8.523775
1.37507
other
Zn1Ga1Pd2
4
71
741.38
mp-1096600
-1.36506
-8.254463
2.392808
other
Nb2Tc1Mo1
4
71
845.35
mp-1104443
-8.239184
-3.8225
5.080146
other
Dy3Ga8Ir3
14
71
256.09
mp-1096326
-3.507921
-8.426478
1.158177
other
K1Na1Hg2
4
71
1,572.65
mp-1096014
-2.484042
-8.467001
1.770232
other
Y2Hg1Ru1
4
71
1,193.02
mp-1176511
17.154203
9.469823
7.6005
other
Mg11Cu2O13
26
71
250.73
mp-1096038
-3.02828
-8.46974
1.729862
other
Li1La2Hg1
4
71
1,228.72
mp-1096475
-3.725657
-7.793284
1.617393
other
Ba2Tl1Pb1
4
71
1,979.84
mp-1095916
-2.079091
-8.387078
2.002484
other
Si2Tc1Rh1
4
71
588.34
mp-1103880
-8.119945
-4.713577
4.878325
other
Tm3Ga9Pt2
14
71
254.93
mp-1097315
-2.008792
-8.443676
1.999086
other
Zr2Os1Pd1
4
71
870.99
mp-1096324
-2.839815
-8.36536
1.382147
other
Mg2Cd1Pb1
4
71
1,228.56
mp-1096726
-3.466171
-7.999826
1.616267
other
Ba1Na2Sn1
4
71
1,999.01
mp-1097186
-2.104657
-8.389499
1.710112
other
Hf1Cu1Rh2
4
71
780.76
mp-1097197
-2.569914
-8.367578
1.810726
other
Li1Zr1Cu2
4
71
532.65
mp-1093857
-2.493375
-8.431058
1.803265
other
Y2Ru1Au1
4
71
1,090
mp-1070356
-5.806788
-3.561091
-1.923363
other
Rb2Te2Pd1
5
71
178.43
mp-1093972
-1.5195
-8.275124
2.379634
other
Ti1Nb2Re1
4
71
1,199.31
mp-1212429
-8.093745
-6.329718
6.716751
other
Ho12Co5Bi1
18
71
433.02
mp-1096360
-3.561825
-8.018613
1.933575
other
Na1Sr2Mg1
4
71
2,123.61
mp-1096570
-2.044651
-8.361459
1.959216
other
Sc1Al2Tc1
4
71
952.3
mp-1096589
-1.681426
-8.385441
2.228574
other
Hf1Ti1Fe2
4
71
830.43
mp-1096691
-3.453993
-8.292163
1.602102
other
Sr2Tl1Pb1
4
71
1,788.87
mp-1093732
-1.610392
-8.355184
2.165856
other
Ta1V1Os2
4
71
742.07
mp-1096131
-2.460632
-8.507876
1.909052
other
Hf1Sc1Zn2
4
71
1,062.34
mp-1095760
-2.537205
-8.429223
1.561383
other
Mn1Ga1Cu2
4
71
667.01
mp-1070498
-5.936841
-3.397993
-1.71829
other
Rb2Te2Pt1
5
71
177.38
mp-1097082
-2.010989
-8.377169
1.90761
other
Hf1Zr1Rh2
4
71
791.95
mp-1093688
-2.995729
-8.479233
1.379394
other
Ca1Cd1Ag2
4
71
1,308.34
mp-1096696
-2.365979
-8.35204
1.689822
other
Y2Pt1Rh1
4
71
1,009.64
mp-1208567
-8.018641
-1.259777
4.414755
other
Tb1Ga6Co6
13
71
179.81
mp-1093628
-2.071411
-8.547906
1.679456
other
Be1Fe1Pt2
4
71
599.31
mp-1093713
-2.825571
-8.326293
1.434344
other
Mg2In1Pb1
4
71
1,258.98
mp-1097394
-3.013881
-8.310741
1.822767
other
La2Zn1Cd1
4
71
1,076.66
mp-1093564
-2.749252
-8.213185
1.543373
other
Li1Mg1Ga2
4
71
922.69
mp-1097144
-3.278637
-8.696352
1.129049
other
Li1Tl1Hg2
4
71
1,223.03
mp-1097231
-2.664916
-8.266022
1.838521
other
Y2Be1Pd1
4
71
1,032.46
mp-1097448
-1.75595
-8.141206
2.250623
other
Ta2Co1Re1
4
71
669.89
mp-997055
9.450765
8.801251
-0.234342
other
Cu2Bi2O4
8
71
136.42
mp-1096157
-2.255317
-8.301961
1.50062
other
Mn1Tl1Rh2
4
71
869.7
mp-1097229
-3.1858
-8.258731
1.154918
other
Na1In2Bi1
4
71
1,274.51
mp-1093614
-1.603388
-8.104987
2.342483
other
Ta2Nb1W1
4
71
835.16
mp-1177862
8.922014
11.744239
-0.447319
other
Li2Pt1O2
5
71
54.68
mp-1093863
-1.85077
-8.260481
2.101442
other
Hf2Tc1Ni1
4
71
818.34
mp-1097225
-2.802433
-8.271415
1.477673
other
Mg2Ga1Pb1
4
71
1,229.51
mp-1077930
-5.283564
0.469581
3.236839
other
Ta1Mn2B4
7
71
61.91
mp-1239018
-5.36253
-3.383655
4.369011
other
Li1Be2Rh1
4
71
46.8
mp-1096074
-2.00373
-8.455595
1.840714
other
Ti1Be2Pt1
4
71
555.84
mp-1097484
-1.59658
-8.156629
2.268525
other
Ta2Cr1Tc1
4
71
886.67
mp-1097405
-2.661489
-8.409397
1.821872
other
Sc2Cd1Ga1
4
71
1,203.38
mp-1103847
-7.906942
-5.560312
4.960228
other
Tm3Ga8Ag3
14
71
265.59
mp-1093772
-2.765515
-8.305281
1.525643
other
Li2Cu1Au1
4
71
728.76
mp-1096559
-1.688405
-8.183567
2.251492
other
Ta2Re1Ir1
4
71
729.79
mp-1097607
-2.509507
-8.370318
1.694944
other
Li1Be1Cu2
4
71
629.18
mp-1095879
-2.080472
-8.453032
1.71146
other
Sc1Fe1Rh2
4
71
816.43
mp-1095875
-2.11233
-8.406871
1.73232
other
Sc1Zn1Ir2
4
71
828.78
mp-1096044
-1.849897
-8.313938
2.030023
other
Ti1Mn2Mo1
4
71
623.85
mp-1097663
-2.337674
-8.505688
1.556033
other
Mg1Co2Sn1
4
71
778.59
mp-1096274
-2.760217
-8.565151
1.366583
other
Ag1Ge1Au2
4
71
887.1
mp-1097260
-2.42641
-8.327123
1.704057
other
Y2Pd1Rh1
4
71
1,008.97
mp-1093834
-2.943279
-8.308276
1.893508
other
La2Zn1Cu1
4
71
910.48
mp-1179773
-4.291079
-3.725852
0.744061
other
Sr8P12Pd12
32
71
612.59
mp-18606
-7.935278
-3.017616
4.756063
other
Er4Ge8Ir4
16
71
298.12
mp-1097350
-1.582564
-8.259897
2.213114
other
Ta1Al1Tc2
4
71
792.23
mp-1093975
-3.030135
-8.352032
1.391108
other
Tl1Cd1In2
4
71
1,328.84
mp-1097325
-2.339771
-8.310523
1.753183
other
Sc2Al1Pt1
4
71
924.75
mp-1093790
-2.114805
-8.439299
1.723324
other
Ga2Tc1Pd1
4
71
736.85
mp-1096442
-2.867985
-8.220473
1.572108
other
Li2Zn1Ga1
4
71
869.54
mp-4711
8.715288
11.733903
-0.00251
other
Li2Cu1O2
5
71
48.18
mp-1097287
-2.390318
-8.362386
1.50629
other
Mg2Cu1Rh1
4
71
829.61
mp-1101898
-6.498426
-5.290486
4.520956
other
Li4Ce3Ge4
11
71
222.23
mp-1097196
-2.661092
-8.574093
1.347497
other
Zn1Ni1Au2
4
71
840.38
mp-3179
-5.300913
-4.077868
5.403572
other
Tb3Cu4Si4
11
71
184.69
mp-1096313
-1.938688
-8.336195
2.161878
other
Hf2Re1Pd1
4
71
875.74
mp-1097528
-2.24323
-8.453481
1.675531
other
Be2Cd1Pt1
4
71
649.91
mp-1096225
-1.926584
-8.434121
1.788054
other
Y1Sn1Ru2
4
71
906.76
mp-1095977
-3.512293
-7.81015
1.793315
other
Ba2Li1Cd1
4
71
1,942.34
mp-1221773
12.168675
11.897148
0.007447
other
Mn1Fe2O3
6
71
65.65
mp-1096560
-1.734147
-8.434803
2.049076
other
Hf1Zr1Ru2
4
71
799.09
mp-1096149
-2.532652
-8.360876
1.717791
other
Y2Zn1Rh1
4
71
1,097.11
mp-1095804
-2.135284
-8.340859
1.851853
other
Nb1Zn1Ni2
4
71
747.99
mp-1096284
-1.602571
-8.281571
2.233885
other
Ta1Ga1Tc2
4
71
790.83
mp-606680
-0.387748
1.642118
-4.657888
other
Cs1Li2Br3
6
71
174.08
mp-1096331
-2.833259
-8.487697
1.636197
other
Y2In1Hg1
4
71
1,342.78
mp-1097524
-2.747631
-8.602375
1.22546
other
Cd1Ag1Au2
4
71
984.7
mp-1096323
-1.923244
-8.578286
1.848811
other
Mg1Si1Ru2
4
71
809.08
mp-1095828
-1.968845
-8.525193
1.833918
other
Zr1Ga1Ir2
4
71
841.86
mp-1103090
-7.677092
-3.515718
4.725439
other
Pr3Ni4Ge4
11
71
206.61
mp-1097126
-1.762635
-8.38202
2.047472
other
Nb1Si1Ru2
4
71
795.49
mp-1097606
-2.329549
-8.32913
1.935573
other
Zr2In1Ag1
4
71
1,193.59
mp-1096678
-1.533487
-8.308427
2.263225
other
Nb2Tc1Ru1
4
71
699.62
mp-1097409
-1.885213
-8.310121
2.194832
other
Hf2Cu1Mo1
4
71
826.7
mp-1096609
-2.686515
-8.283531
1.765602
other
Sc2Tl1Cr1
4
71
1,288.78
mp-1095999
-1.741163
-8.386673
2.051636
other
Hf2Os1Ru1
4
71
793.06
mp-1097124
-2.986764
-8.181355
1.609142
other
Ca2Cd1Rh1
4
71
1,328.76
mp-1189703
-7.942198
-4.568618
3.321843
other
Yb4Ge8Pd4
16
71
321.35
mp-760470
11.086175
8.510051
2.467781
other
Ce2U1O6
9
71
121.44
mp-1093701
-2.632768
-8.430989
1.263292
other
Na1Sb1Pd2
4
71
1,005.91
mp-1095803
-2.69427
-8.316248
1.793687
other
Y2In1Pd1
4
71
1,350.77