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-1097522
-2.086701
-8.439338
1.749715
other
Be2Ni1Pd1
4
71
405.61
mp-753957
11.201144
8.674664
2.414799
other
Ce4Th1O8
13
71
216.06
mp-1096021
-2.799831
-8.239858
1.739009
other
Sc1Ti1Tl2
4
71
1,226.44
mp-1097299
-4.106041
-7.284857
1.485384
other
Rb2Na1Hg1
4
71
2,252.64
mp-1097050
-2.659698
-8.34982
1.650774
other
Y1Mg1Cu2
4
71
1,011.69
mp-638084
-7.701924
-3.310638
4.761162
other
Dy4Ni4Ge8
16
71
277.7
mp-1095905
-1.604941
-8.263633
2.218369
other
Nb1V2Fe1
4
71
664.82
mp-1207036
-8.147463
-5.036478
5.158569
other
Dy2Ni2Sn1
5
71
98
mp-1097109
-2.140767
-8.301412
1.821706
other
Hf1Mn1Co2
4
71
645.54
mp-1213565
8.335998
1.042001
1.749325
other
K10Gd22F79
111
71
1,620.95
mp-1093921
-2.534235
-8.402453
1.743651
other
Y2Hg1Ir1
4
71
1,206.15
mp-1097631
-3.587585
-7.723739
1.762727
other
Ba2Mg1Tl1
4
71
1,969.8
mp-1096234
-1.504337
-8.226756
2.217929
other
Ti2V1Tc1
4
71
1,135.93
mp-1093550
-2.696723
-8.424769
1.298394
other
Ca1Sb1Pd2
4
71
1,024.31
mp-1096551
-2.047758
-8.40157
1.628584
other
In1Fe1Rh2
4
71
799.79
mp-1095971
-3.359782
-8.080651
1.654666
other
Sr2Mg1In1
4
71
1,558.6
mp-1097253
-2.37337
-8.369785
1.739377
other
Sc1Co2Ge1
4
71
569.22
mp-1096208
-2.396926
-8.524485
1.468952
other
Zn2Ir1Au1
4
71
801.87
mp-1104284
-7.519181
0.092989
4.818357
other
Dy1Ga6Fe6
13
71
186.89
mp-1095714
-2.717489
-8.470714
1.356315
other
La1Sb1Pd2
4
71
1,056.19
mp-1096089
-2.015599
-8.484917
1.759463
other
Li1Ta1Pt2
4
71
958.98
mp-1093902
-3.357837
-7.983705
1.579376
other
Ba1Mg1Tl2
4
71
1,699.28
mp-29981
-4.331958
0.075011
2.933618
other
Nb7B4C4
15
71
166.31
mp-1093781
-1.51776
-8.274554
2.353137
other
Nb2Re1Tc1
4
71
753.67
mp-1097251
-1.536322
-8.43572
2.325367
other
Nb1Re1Tc2
4
71
750.28
mp-1097660
-1.518147
-8.354786
2.198371
other
V2Fe1Mo1
4
71
663.15
mp-1097586
-2.789527
-8.655545
1.250794
other
Ag1Sn1Au2
4
71
956.09
mp-613839
-7.264627
-1.864727
5.885966
other
Tb3Mn4Ge4
11
71
201.43
mp-1097417
-2.322306
-8.329103
1.766474
other
Sc2In1Ru1
4
71
928.61
mp-1097650
-2.008821
-8.416313
2.084661
other
Zr2Tc1Au1
4
71
945.17
mp-1093717
-2.578211
-8.327676
1.881676
other
Sc2Al1In1
4
71
1,159.63
mp-1093891
-2.260642
-8.356383
1.571013
other
Al1Zn1Ni2
4
71
565.23
mp-1096424
-2.21778
-8.519382
1.950027
other
Zr2Cu1Pt1
4
71
889.5
mp-1095938
-1.706366
-8.29534
2.098118
other
Be1Nb1Os2
4
71
721.95
mp-1097089
-4.119255
-7.028766
1.702514
other
Cs1Rb1Na2
4
71
2,731.04
mp-1097207
-1.875409
-8.365316
1.934265
other
Y1Hf1Ru2
4
71
889.5
mp-18059
-5.579187
-2.071176
5.273577
other
Zr6Mn6Si12
24
71
353.23
mp-1096746
-2.954466
-8.22843
1.636259
other
Li2Sc1Tl1
4
71
1,950.61
mp-1097442
-2.858313
-8.15295
1.409965
other
Li2Ag1As1
4
71
851.28
mp-3923
1.800025
1.865566
2.084366
other
Th2Mn1N3
6
71
87.37
mp-1096732
-2.638584
-8.378727
1.353601
other
Tl1Cd1Pd2
4
71
1,012.97
mp-1095747
-2.519143
-8.376092
1.73709
other
Sc2Zn1Pd1
4
71
913.73
mp-1093715
-2.444578
-8.452725
1.674425
other
Ti1Be1Au2
4
71
748.05
mp-1095951
-3.484981
-8.442514
1.267974
other
Ba1In1Hg2
4
71
1,671.64
mp-1095878
-2.295491
-8.548211
1.415616
other
Mn1Zn2Pt1
4
71
795.35
mp-1093839
-2.917516
-8.277871
1.769047
other
Y2In1Pb1
4
71
1,643.98
mp-1097241
-2.833595
-8.487099
1.331426
other
Mg2Hg1Au1
4
71
1,028
mp-1262353
-2.010285
-8.329738
1.916878
other
Sc1Al2Os1
4
71
683.66
mp-1106164
-8.208702
-6.609633
6.849823
other
Dy12Ga2Co4
18
71
439.54
mp-1097210
-2.971887
-8.403212
1.576911
other
La1Cd2In1
4
71
2,033.33
mp-1096704
-1.600824
-8.232767
2.342437
other
Ta1Nb1Re2
4
71
734.11
mp-1096308
-1.755854
-8.505682
1.960197
other
Al1Fe1Ru2
4
71
609.1
mp-1095815
-1.519338
-8.274863
2.357167
other
Ti2Mo1W1
4
71
772.61
mp-1096200
-3.539595
-7.722416
1.684369
other
Ba2Hg1Pd1
4
71
1,610.41
mp-1097410
-1.787358
-8.608068
2.004492
other
Al1Cr1Os2
4
71
695.23
mp-1095877
-1.93121
-8.181323
2.078569
other
Ta1Fe2Ge1
4
71
522.95
mp-1097600
-1.535514
-8.286036
2.207109
other
Ti1Nb1Os2
4
71
740.69
mp-1101202
13.797483
11.737593
-0.305926
other
V6O4F10
20
71
333.56
mp-756203
11.66376
11.329665
-2.069697
other
Li2W4O12
18
71
218.12
mp-1096503
-2.703861
-8.299903
1.402183
other
Mg2Cu1Ag1
4
71
996.98
mp-1216935
-7.473991
0.747331
4.497308
original
Tm1Fe10Mo2
13
71
172.16
mp-1097418
-2.617256
-8.285043
1.987797
other
Y1Sc1Al2
4
71
1,307.21
mp-1096582
-2.816814
-8.484832
1.675763
other
Sc2Cu1Hg1
4
71
1,082.45
mp-1093910
-2.487286
-8.387132
1.734394
other
Sc2Zn1Ni1
4
71
1,181.31
mp-1093692
-2.958485
-8.180279
1.786706
other
Li2Si1Au1
4
71
788.77
mp-1097546
-2.391085
-8.244631
1.859211
other
Y2Mg1Os1
4
71
1,115.13
mp-1093827
-2.047062
-8.331126
2.038302
other
Li1Zr2Ru1
4
71
932.65
mp-1096078
-3.186861
-8.45523
1.229245
other
In1Bi1Pb2
4
71
1,432.25
mp-1224075
-0.515653
1.270922
-4.286391
other
K2Pt1Br6
9
71
354.17
mp-1207129
-7.921194
-5.261684
5.245938
other
Nd2Ni2Sn1
5
71
106.44
mp-1097356
-2.577969
-8.379077
1.735779
other
Y2Pt1Au1
4
71
1,096.31
mp-1220865
-3.985282
-4.252531
-3.718305
other
Na1Sm2Se3
6
71
153.93
mp-1104230
-7.866953
-5.485756
4.954285
other
Ho3Ga8Ag3
14
71
268.04
mp-1096028
-2.534871
-8.470197
1.335127
other
Mn1Hg1Pd2
4
71
894.39
mp-1097169
-2.536405
-8.455547
1.416647
other
Mg1Cd1Pd2
4
71
911.46
mp-1096003
-3.35872
-8.053022
1.723509
other
Ba1Li2Tl1
4
71
1,659.1
mp-1096514
-1.577279
-8.303361
2.273842
other
Ti1Re2Mo1
4
71
1,023.17
mp-1096073
-3.3061
-8.045387
1.807369
other
Sr2Zn1Ge1
4
71
1,411.05
mp-1097525
-2.671436
-8.533798
1.465122
other
Li1Cu1Au2
4
71
767.1
mp-1093610
-2.887635
-8.26857
1.80076
other
Li1Y2Tl1
4
71
1,556.01
mp-1093806
-1.755938
-8.483964
2.08392
other
Sc1V1Os2
4
71
812.71
mp-1097584
-2.795519
-8.441632
1.570804
other
Y1Ga1Ag2
4
71
1,201.47
mp-1097460
-2.722409
-8.434586
1.568375
other
Li1Sc1Ag2
4
71
1,076.22
mp-1093918
-2.307495
-8.379558
1.637221
other
Al2Cu1Pd1
4
71
708.23
mp-1096179
-2.915078
-8.106513
1.82526
other
Ca1Y1Mg2
4
71
1,607.57
mp-1097181
-2.483047
-8.48849
1.876603
other
Zr1Sc1Zn2
4
71
1,021.4
mp-581496
-7.550412
-6.136953
3.423842
other
Ce3Ag4Sn4
11
71
304.71
mp-1096617
-2.136779
-8.510689
1.413314
other
Mn1Zn1Pt2
4
71
740.28
mp-9522
-4.318016
-3.645861
-3.388396
other
K1Th2Se6
9
71
261.53
mp-1096130
-3.313011
-8.198594
1.392698
other
Na1Tl2In1
4
71
1,455.86
mp-1101381
8.423198
2.225448
-0.808325
other
Sb1O1F3
5
71
71.11
mp-1095867
-1.65254
-8.096625
2.207131
other
Ta2Mn1Tc1
4
71
828.55
mp-1097478
-3.646697
-7.919946
1.672129
other
Ba2Cd1Hg1
4
71
2,002.69
mp-1095743
-2.671142
-8.420897
1.722006
other
Sc2Cu1Ag1
4
71
976.6
mp-1097526
-3.195511
-8.747409
1.111982
other
Li1Hg2Au1
4
71
948.75
mp-1093584
-1.4953
-8.494711
2.435091
other
Cr1Re1W2
4
71
859.68
mp-1223142
10.858702
8.9394
2.142711
other
La2U3O11
16
71
207.98
mp-1095801
-2.839816
-8.501908
1.650753
other
Y2Zn1Hg1
4
71
1,359.48
mp-1097093
-2.213201
-8.371175
1.571556
other
Mn1Cu1Rh2
4
71
604.06
mp-542881
-8.109764
-5.307902
3.582161
other
Ce3Cu4Sn4
11
71
241.35