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-1207042
-8.329867
-4.798672
5.582489
other
Er2Ga1Ni2
5
71
88.24
mp-1096561
-1.971781
-8.442776
2.173099
other
Zr2Cu1Tc1
4
71
882.09
mp-1216554
-2.55249
-2.751613
-5.615341
other
Tm2Te1S2
5
71
143.87
mp-1095923
-1.992114
-8.502953
1.941303
other
Sc1Si1Ru2
4
71
794.11
mp-1097051
-1.714896
-8.10673
2.233583
other
Ta2Re1Ni1
4
71
1,057.84
mp-638051
-7.666574
-3.246521
4.779429
other
Lu4Ni4Ge8
16
71
268.47
mp-1095844
-1.439821
-8.266509
2.342883
other
Nb2Mo1Os1
4
71
766.62
mp-5700
7.355225
9.871829
0.797226
other
Sr2Cu3O5
10
71
127.82
mp-760513
10.51567
8.986597
2.477086
other
La2U1O6
9
71
126.67
mp-1096574
-2.161748
-8.520761
1.493802
other
Mg1Be1Pt2
4
71
789.97
mp-1225369
-8.315112
-0.223619
4.212125
other
Dy1V2Co10
13
71
161.82
mp-1096603
-3.591466
-7.916147
1.714743
other
Ba2Li1Hg1
4
71
1,861.89
mp-1095734
-2.055063
-8.409046
1.897964
other
Zr1Ga1Co2
4
71
675.42
mp-1095998
-2.135481
-8.177756
1.911384
other
Be1Fe2P1
4
71
466.1
mp-1096040
-1.809592
-8.447918
1.982354
other
Zr1Sc1Ru2
4
71
828.06
mp-1096515
-1.94852
-8.417432
2.051843
other
Hf2Cr1Ir1
4
71
849.36
mp-1097461
-1.872388
-8.428102
2.145153
other
Zr1Al1Fe2
4
71
735.5
mp-1093582
-3.521999
-7.684919
1.832989
other
Ba2Cd1Ge1
4
71
1,862.6
mp-1220450
-7.639235
0.78895
4.844278
other
Nd1Cr2Fe10
13
71
169.04
mp-1097224
-3.208807
-8.450024
1.178678
other
Cd2In1Bi1
4
71
1,230.46
mp-1096465
-3.260985
-8.244055
1.623462
other
Sr2Cd1Ag1
4
71
1,727.69
mp-1222454
-8.734592
-4.27701
4.677408
other
Lu1Al6Cu6
13
71
182.44
mp-1207723
-7.990952
-1.25965
4.382557
other
Y1Ga6Co6
13
71
178.49
mp-1095746
-2.94852
-8.247434
1.846361
other
Li1Y2Pb1
4
71
1,515.65
mp-1096676
-2.565539
-8.44928
1.766628
other
Zr1Cu2Au1
4
71
566.69
mp-1095883
-1.396678
-8.26032
2.336928
other
Ti2Tc1Mo1
4
71
734.68
mp-1104450
-8.126898
-4.771324
4.896954
other
Dy3Ga9Pt2
14
71
259.74
mp-1093634
-3.459707
-7.806977
1.782239
other
Ba1Sr1Mg2
4
71
2,122.54
mp-1097262
-2.780525
-8.488636
1.593874
other
La1Mg1Au2
4
71
1,677.66
mp-1097294
-2.488345
-8.300808
1.652853
other
Li1Be2Au1
4
71
613.7
mp-1097527
-1.738645
-8.342153
2.262305
other
Hf2Fe1Re1
4
71
932.02
mp-1246837
0.813745
1.620268
2.542198
other
Ta2Cr1N3
6
71
61.44
mp-1248567
9.846322
2.443811
1.788024
other
Al1V1F5
7
71
87.98
mp-1077081
10.816034
11.667247
2.463377
other
Na2Ti1O3
6
71
66.02
mp-1097147
-1.94726
-8.420185
1.88128
other
Mg1Be2Os1
4
71
655.41
mp-1095967
-2.451587
-8.392345
1.839003
other
La2Ag1Os1
4
71
1,123.82
mp-1096143
-1.700138
-8.314038
2.196311
other
Ta1Tc2Sn1
4
71
934.37
mp-1097462
-2.664513
-8.348759
1.423465
other
Mg2Cu1Au1
4
71
921.27
mp-1095811
-2.696971
-8.257024
1.906659
other
Li1Y2Ga1
4
71
1,235.88
mp-1095709
-1.631775
-8.450512
2.284307
other
Tc2Ge1W1
4
71
754.31
mp-1093862
-2.183121
-8.389366
2.090476
other
Cr1Si2Tc1
4
71
668.87
mp-637222
-7.98936
-4.521002
6.10926
other
Gd2Al1Co2
5
71
95.7
mp-1096067
-2.835529
-8.435704
1.740594
other
Y1Sc1Cd2
4
71
1,519.25
mp-1097099
-2.654794
-8.488219
1.289385
other
Mg1Bi1Pd2
4
71
957.34
mp-29352
8.439628
9.608963
1.062479
other
Ba2Pd1O3
6
71
106.73
mp-1096321
-2.677786
-8.383405
1.382705
other
Mg2Zn1Au1
4
71
967.24
mp-1093823
-3.002183
-8.314289
1.409484
other
Ca1Mg1Cd2
4
71
1,581.86
mp-1093949
-3.660125
-7.749506
1.686984
other
Ba2Tl1Ag1
4
71
1,919.24
mp-1093904
-3.747265
-7.631019
1.350084
other
Rb1Na2Bi1
4
71
2,035.73
mp-1093847
-3.503075
-7.644102
1.703287
other
Ba2Pd1Au1
4
71
1,510.25
mp-1248348
-1.961961
-8.3274
1.893991
other
Al2Tc1Ni1
4
71
728.3
mp-1097457
-3.368713
-8.027692
1.796318
other
Sr2Li1Al1
4
71
1,534.17
mp-1097095
-3.05551
-8.151513
1.702057
other
Sr1Li2Ge1
4
71
1,506.9
mp-1096437
-4.148488
-5.809097
0.583991
other
Cs2H1Cl1
4
71
1,245.57
mp-1097278
-1.907586
-8.318827
2.102076
other
Zr2Tc1Ni1
4
71
836.28
mp-1093664
-3.361967
-8.301555
1.598273
other
Sr2Ag1Pb1
4
71
1,740.98
mp-1216179
-7.302688
0.641962
4.571633
other
Y1Fe10Si2
13
71
164.89
mp-1093602
-3.656468
-7.679303
1.657955
other
Ba2Zn1Pb1
4
71
1,835.07
mp-1093755
-3.035055
-8.494305
1.393474
other
Ca1Cd2Ag1
4
71
1,426.65
mp-1097511
-1.787882
-8.171613
2.108672
other
Li1Ta2Os1
4
71
917.22
mp-1096595
-3.349474
-8.06894
1.715893
other
Sr2Li1Zn1
4
71
1,671.13
mp-1097348
-1.918866
-8.459826
2.079695
other
Zr2Co1Ru1
4
71
1,122.43
mp-1206933
-8.244017
-4.946065
5.742747
other
Dy2Ga1Ni2
5
71
90.29
mp-1096099
-2.947975
-8.428481
1.336144
other
Li1Tl1Ag2
4
71
1,134.96
mp-1227213
-2.337653
0.391454
2.386404
other
Ce4U1C10
15
71
215.55
mp-1093615
-1.860094
-8.352903
2.036894
other
Hf2Mn1Os1
4
71
883.75
mp-1097228
-2.571024
-8.355393
1.622664
other
Li1Al2Au1
4
71
807.6
mp-1093958
-1.956742
-8.36435
1.89825
other
Al2Co1Tc1
4
71
757.01
mp-9357
-4.337705
1.378949
3.082841
other
Th1Cr2B6
9
71
84.96
mp-1093553
-1.984739
-8.493975
1.796902
other
Al2Os1Pt1
4
71
720.07
mp-1262600
9.856845
1.810062
1.685757
other
Al1Cr1F5
7
71
83.18
mp-1212976
-8.07972
-4.578166
3.603564
other
Dy4Ge8Pd4
16
71
306.89
mp-1216230
-7.473773
0.781366
4.537868
original
Y1Fe10Mo2
13
71
174.23
mp-1097545
-2.012355
-8.44057
1.730939
other
Be1V1Rh2
4
71
594.08
mp-1095903
-2.706317
-8.561031
1.327146
other
Li1Ag2Au1
4
71
919.22
mp-1093950
-2.424283
-8.249976
1.718318
other
Y2Co1Ir1
4
71
971.88
mp-1093887
-2.98028
-8.266266
2.012147
other
La2Al1Zn1
4
71
1,117.38
mp-1095825
-2.049056
-8.426235
1.778259
other
Al2Fe1Pt1
4
71
673.99
mp-1095575
-8.061645
-5.378026
3.327297
other
Y3Cu4Sn4
11
71
226.35
mp-1096655
-2.593115
-8.492593
1.679111
other
Zr1Zn2Au1
4
71
946.75
mp-1093694
-3.447243
-7.875762
1.690787
other
Ba2Cd1Sn1
4
71
1,862.79
mp-1097135
-3.186326
-8.238954
1.574224
other
Ca2Tl1In1
4
71
2,314.67
mp-1096170
-1.778028
-8.399027
2.085464
other
Ta1Si1Ru2
4
71
715.72
mp-1096068
-3.115931
-8.649663
1.237212
other
Sc1Zn1Hg2
4
71
1,162.93
mp-1096666
-3.658377
-7.379033
1.606291
other
Ba2As1Br1
4
71
1,411.04
mp-1096125
-1.989952
-8.361959
1.970869
other
Al1V1Cr2
4
71
790.95
mp-1097597
-1.97364
-8.362862
1.849593
other
Al2Tc1Pd1
4
71
729.9
mp-1096292
-2.023865
-8.374407
1.946592
other
Hf2Zn1Rh1
4
71
903.55
mp-1223120
-5.23017
-4.035789
0.676085
other
La2U1As3
6
71
166.36
mp-1093804
-2.654975
-8.548635
1.355196
other
Li1Ag1Au2
4
71
918.55
mp-1096211
-1.672216
-8.343561
2.113469
other
Nb1Ga1Os2
4
71
759.25
mp-1093829
-2.719204
-8.282567
1.702837
other
Ca1Y1Pd2
4
71
1,094.92
mp-1221987
-5.464578
-1.977099
-3.945309
other
Mn2Cr1Se3
6
71
116.36
mp-1097252
-1.911203
-8.360991
1.931265
other
Mn1Tc2Sb1
4
71
864.8
mp-1096707
-2.666672
-8.477372
1.658304
other
Y2Hg1Pt1
4
71
1,267.43
mp-1093935
-3.347296
-8.123414
1.68158
other
Sr2Tl1Ga1
4
71
1,785.4
mp-5468
8.915269
0.891969
1.421506
other
Na3Al1F6
10
71
130.02
mp-1097190
-2.366206
-8.525865
1.757151
other
Hf1Ti1Au2
4
71
967.28
mp-1097433
-3.038754
-8.628775
1.155043
other
Mg1Ag2Hg1
4
71
1,042.78
mp-1104517
-7.952702
-4.870194
4.319836
other
Yb3Ga9Pt2
14
71
258.63