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-560878
9.219399
0.312292
0.113597
other
Rb2Co1F6
9
225
147.9
mp-22503
-7.557766
-2.138782
3.439865
other
Zr1Co2Sn1
4
225
61.43
mp-862764
-5.677958
-7.063776
3.864239
other
Li1Ca2Rh1
4
225
90.28
mp-568562
-6.347033
-1.149884
1.236053
other
Ni21Sn2P6
29
225
342.19
mp-867240
-8.771405
-3.242053
4.107554
other
Sm1Mg1Rh2
4
225
71.97
mp-1113833
8.933214
0.376237
0.978625
other
Rb3Fe1F6
10
225
186.14
mp-864898
-5.705081
-6.533748
0.83514
other
Na2Tl1Bi1
4
225
111.15
mp-867794
-8.349983
-4.362642
4.867862
other
Sc2Cu1Ir1
4
225
67.25
mp-1184583
-8.528828
-5.783018
6.792138
other
Ho2Al1Ru1
4
225
83.76
mp-1185089
-7.40685
-7.295424
5.393837
other
La1Pr1Tl2
4
225
123.33
mp-865753
-8.528603
-5.527647
3.623438
other
Yb1Er1Pd2
4
225
83.38
mp-29250
1.474937
2.118384
-5.398635
other
Li6V1Cl8
15
225
266.69
mp-1110926
-0.315857
1.023271
-4.256171
other
K3Nd1Br6
10
225
434.72
mp-861908
-6.886969
-1.749861
4.301745
other
Ta1Ti1Ru2
4
225
60.55
mp-866079
-8.125197
-4.357644
5.030791
other
Mg1Sc2Ru1
4
225
75.36
mp-1183763
-7.434724
-5.9929
5.061498
other
Ce2Zn1In1
4
225
104.05
mp-1111888
8.97214
1.895352
1.623096
other
Na3Nb1F6
10
225
157.62
mp-1193180
-8.385245
-0.408278
2.390098
other
Ti2Ni21B6
29
225
279.97
mp-1186559
-7.427876
-5.918551
6.548157
other
Pm1Er1Al2
4
225
94.85
mp-1110726
1.194632
2.372199
-5.906681
other
Rb3Sm1Cl6
10
225
393.77
mp-1112968
-1.249734
3.074587
-3.052248
other
Cs3Sb1I6
10
225
590.32
mp-974387
-8.102227
-7.127117
5.203386
other
Nd2Ag1Hg1
4
225
107.81
mp-1183468
-6.022876
-6.897814
3.316848
other
Ca2Zn1Sn1
4
225
109.85
mp-3740
-7.806516
-2.274747
2.742295
other
Ti1Ni2Sn1
4
225
57.14
mp-862757
-7.970503
-8.642422
6.960104
other
Pr1Dy1Mg2
4
225
113.94
mp-1183585
-7.959192
-6.90697
5.053805
other
Ca1Ho1Zn2
4
225
91.28
mp-982388
-7.977232
-8.972299
6.928712
original
Ho1Tm1Mg2
4
225
106.15
mp-862941
-8.679199
-3.439206
4.205032
other
Pm1Mg1Rh2
4
225
72.77
mp-867827
-9.015063
-6.385986
2.866391
other
Dy1Cd1Au2
4
225
82.67
mp-1184820
-7.504681
-4.925723
6.06315
other
Ho1Sc1Al2
4
225
84.06
mp-867276
-8.65644
-5.361897
3.213433
other
Dy1Cd1Pd2
4
225
76.13
mp-631409
-7.953822
-2.14537
3.851345
other
Tl1Tc1Ir2
4
225
67.87
mp-13254
-8.662015
-6.155932
4.819986
other
Ce1Mg1Zn2
4
225
82.86
mp-1183766
-4.071358
-6.864066
1.52158
other
Cs2K1Rb1
4
225
392.48
mp-977372
-7.740949
-7.225056
5.483785
other
Pm2Sn1Hg1
4
225
111.12
mp-1191131
3.445192
-0.735572
-2.350217
other
Mg7Nb1H16
24
225
205.99
mp-1184330
-7.883833
-6.944117
2.84514
other
Eu1Cd1Ag2
4
225
96.51
mp-866103
-6.952127
-7.689631
5.118051
other
Ac2Mg1Sn1
4
225
138.11
mp-8217
8.508483
0.824648
1.166126
other
Cs2Ge1F6
9
225
177.79
mp-10898
-8.344293
-2.023628
3.155364
other
Sc1Al1Ni2
4
225
54.24
mp-22673
-9.218351
-4.513824
3.502905
other
Mn1In1Cu2
4
225
59.01
mp-1186295
-8.401495
-7.109974
3.518066
other
Nd1Cd1Ag2
4
225
89.03
mp-1183803
-7.620183
-8.605895
6.53172
other
Ce1Dy1Mg2
4
225
110.92
mp-1185294
-6.68928
-7.891296
4.868274
other
Li1Ac2Pb1
4
225
138.17
mp-861641
-6.35698
-1.40983
4.018955
other
Ti2Co1Re1
4
225
56.62
mp-865184
-8.350336
-4.755793
3.21176
other
Li1Sc1Pd2
4
225
63.12
mp-977553
-8.108983
-5.227734
3.506463
other
Yb2Pt1Au1
4
225
86.41
mp-865237
-9.025473
-6.034484
6.56643
other
Tm2Zn1Ir1
4
225
79.29
mp-973625
-8.617679
-5.95999
6.746957
other
Lu2Al1Tc1
4
225
81.75
mp-862319
-7.047069
-7.682002
4.918087
other
Ac2Cd1Sn1
4
225
135.92
mp-642281
-5.821064
-7.246083
3.372687
other
Sr21In8Pb7
36
225
1,386.07
mp-580744
-7.56615
-1.881127
3.039743
other
Hf6Si7Ni16
29
225
361.66
mp-1079896
3.202154
-0.730487
-2.161179
other
Ca2H6Ru1
9
225
93.05
mp-1187931
-7.726252
-5.884022
4.620382
other
Yb1Al1Zn2
4
225
72.55
mp-1184238
-7.253871
-7.359584
5.015394
other
Er1Mg1Tl2
4
225
103.34
mp-1184951
-7.422814
-5.546506
3.165015
other
Li2Ge1Pt1
4
225
52.44
mp-1192832
-7.568088
0.243346
3.57025
other
Nb2Co21B6
29
225
286.39
mp-1205922
3.457508
3.467262
-3.673684
other
Cu1I2N6
9
225
106.03
mp-1183218
-7.448042
-1.650613
4.358097
other
Al1Ga1Ru2
4
225
53.53
mp-1283081
8.091277
11.47317
2.20626
other
La2Mn2O6
10
225
123.01
mp-725512
8.309096
1.551233
0.595297
other
Y6N2F20
28
225
403.54
mp-972328
-7.444549
-2.252965
4.111469
other
Ti2Ir1Rh1
4
225
59.52
mp-1186675
-7.591609
-7.454897
5.647731
other
Pm1Y1Tl2
4
225
111.84
mp-862545
-8.451652
-6.302444
6.802891
other
Li1Tm2Tc1
4
225
80.54
mp-1206836
-1.189629
2.825975
-2.919569
other
Rb2Tc1I6
9
225
376.06
mp-4053
-8.295332
-4.946086
2.629174
other
Yb1Sn1Pd2
4
225
76.26
mp-5172
-8.553797
-0.48032
2.416138
other
Zr2Ni21B6
29
225
289.09
mp-1185458
-7.508208
-6.583753
6.668216
other
Li1Sm2Al1
4
225
102.75
mp-866077
-7.854235
-5.752628
5.317886
other
Mg1Sc2Cd1
4
225
89.53
mp-866224
-6.522061
-1.510023
3.772389
other
Be2Ni1Pt1
4
225
40.37
mp-1186455
-8.599222
-5.107303
3.374418
other
Pa1In1Pd2
4
225
79.79
mp-863675
-8.226061
-6.653656
6.787732
other
Li1Pm2Ru1
4
225
89.23
mp-862378
-8.225043
-4.71139
4.929525
other
Sc2Tc1Au1
4
225
71.14
mp-1184381
-8.783624
-6.531045
4.811068
other
Gd2Ag1Au1
4
225
95.73
mp-631529
-3.239889
-1.246886
-4.322403
other
B1Se2Cl1
4
225
67
mp-30080
-7.161829
-6.090717
2.869081
other
Li2Ge1Pd1
4
225
55.23
mp-977566
-8.406075
-4.803808
3.234228
other
Mg1Sc1Pd2
4
225
67.7
mp-862879
-7.836614
-6.057983
1.654534
other
Pm1Bi1Au2
4
225
94.99
mp-1183321
-4.803641
-7.386867
3.643918
other
Ba1Sr2Ca1
4
225
209.52
mp-971891
-8.875835
-5.332714
2.395094
other
Zn2Pd1Au1
4
225
59.1
mp-1184246
-8.221184
-3.618739
5.736118
other
Er1Th1Ru2
4
225
82.31
mp-690785
3.260895
-0.748245
-2.343218
other
Na2H6Pt1
9
225
95.61
mp-16497
-9.099284
-4.545373
4.43526
other
Sc1Al1Cu2
4
225
58.49
mp-862742
-7.49279
-6.670814
6.050844
other
Pm2Zn1Ge1
4
225
95.96
mp-1194230
-8.927717
-4.867594
4.122835
other
Zr6Zn16Cu7
29
225
452.31
mp-1206593
-8.51515
-5.268207
2.838892
other
Er1Pd2Pb1
4
225
78.55
mp-865755
-7.877212
-7.441598
3.686635
other
Yb1Ce1Hg2
4
225
109.42
mp-867320
-8.762115
-6.177321
6.767512
other
Ho2Zn1Ru1
4
225
81.1
mp-1185433
-7.995564
-5.086814
4.895029
other
Li1Sc2Pd1
4
225
74.51
mp-20586
-6.915368
-0.895585
3.257277
other
V1Co2Si1
4
225
45.25
mp-867131
-7.912826
-7.177614
4.674647
other
Sm1Mg1Cd2
4
225
95.03
mp-1008277
-6.877379
-1.044636
2.409382
other
Cr1Co2As1
4
225
48.44
mp-20730
-7.615282
-1.979841
3.472878
other
Hf1Co2Sn1
4
225
60.04
mp-1194206
-7.234648
-2.118995
5.965796
other
Sc6Al16Os7
29
225
469.43
mp-972180
-7.066749
-6.489563
3.933132
other
Yb1Mg1In2
4
225
100.8
mp-1186956
-8.329696
-4.080894
4.383127
other
Sc2Pt1Rh1
4
225
68.93
mp-1206282
7.826291
2.569529
-1.26252
other
In1N3F6
10
225
125.55
mp-864615
-8.648335
-2.968017
3.816003
other
Tb1Cd1Rh2
4
225
71.92
mp-1187762
-8.837891
-5.590366
6.155624
other
Y2Ru1Pt1
4
225
82.73
mp-867831
-8.678697
-3.221269
4.09323
other
Dy1Mg1Rh2
4
225
69.18