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-1017509
3.127084
-0.582146
-1.857065
other
Mg1Ni1H2
4
123
33.63
mp-1226737
-3.259574
-3.816227
-3.002911
other
Ce2Se1S1
4
123
98.9
mp-1224072
-8.290607
-1.227677
2.259053
other
In2Ni6C1
9
123
110.49
mp-1222782
10.73652
8.884561
3.192962
other
La1Pa1O4
6
123
83.88
mp-1206140
-5.395903
-4.752853
5.611189
other
Sm2Si3Pt3
8
123
164.48
mp-1221606
-5.834204
-1.587785
4.742438
other
Mn1Fe1Si4
6
123
76.63
mp-580215
-7.807743
-4.779219
4.638197
other
Ce1Ga6Pd1
8
123
147.6
mp-1223230
-7.163675
-6.230392
6.10229
other
La2Al1Zn1
4
123
108.32
mp-1206620
-2.961945
-8.270305
1.354676
other
Pr2Cd1Sb3
6
123
3,852.8
mp-1228861
-8.508402
-1.448069
2.662235
other
Al1Ni6Pd1
8
123
93.4
mp-1211445
-2.526843
-8.233271
1.57924
other
Mg2Mn1Ge2
5
123
2,410.52
mp-1078010
-7.987191
-5.61515
4.35746
other
Y1In5Co1
7
123
151.15
mp-1206766
-7.611449
-5.89998
3.505603
other
Y2Cu3Sn3
8
123
206.57
mp-1206242
-8.158612
-5.370891
4.273405
other
Y1In5Rh1
7
123
160.09
mp-1025313
-7.818069
-3.809513
4.995265
other
Ti1Ga5Ni1
7
123
110.18
mp-1207358
-2.764452
-8.257478
1.395004
other
Tm2Cu1Sb3
6
123
3,848.53
mp-1207035
-4.87838
-4.423868
4.051757
other
Zr2Si1Te2
5
123
140.99
mp-1223782
-6.092248
-3.291339
-2.288423
other
In1Ag1Te2
4
123
111.19
mp-1185778
12.827858
9.13934
0.342012
other
Mg2Si2O5
9
123
81.79
mp-1217689
-7.789395
-5.969645
6.203938
other
Tb2Al1Cu1
4
123
89.83
mp-1147749
8.21352
11.07575
0.221467
other
Ca1Ni1O2
4
123
46.01
mp-1025371
-7.142969
-3.618597
0.561559
other
Cd1Pd5Se1
7
123
115.33
mp-1077280
8.195977
1.975569
-1.057534
other
Al1N1F4
6
123
81.48
mp-1212527
-5.598883
-3.801966
-1.41152
other
K2Ce2Te8
12
123
777.35
mp-1222717
7.878104
9.681488
0.238614
other
La1Ti2O6
9
123
118.74
mp-1120734
1.229102
2.562256
-5.92649
other
Cs3Li1Cl4
8
123
265.27
mp-1225447
10.835286
8.914165
3.137889
other
Er1Pa1O4
6
123
75.7
mp-4826
7.462646
9.964232
0.950489
other
Ca1Cu1O2
4
123
46.61
mp-1218699
-6.302644
-7.086401
2.741553
other
Sr1Ca1Pb6
8
123
244.01
mp-1217457
-5.45142
-4.262176
0.234115
other
Th4U1Te5
10
123
281.49
mp-1206112
-5.102675
-4.604483
5.905221
other
Sm2Si3Ir3
8
123
161.52
mp-1080554
2.710318
-0.38539
-1.51159
other
Ti4H3Pd2
9
123
103.29
mp-1078079
-7.809262
-4.267675
1.453506
other
Ag1P1Pd5
7
123
110.34
mp-1206316
-2.872131
-8.310979
1.426212
other
Nd2Sb3Au1
6
123
3,960.46
mp-1207256
-5.600837
-3.547398
2.128387
other
Nb2Ge1Sb2
5
123
120.15
mp-1217224
-7.177698
-1.262126
3.845428
other
Ti4Co5Ni1
10
123
128.05
mp-1069250
2.414346
2.810996
-3.959038
other
Hg1N1Cl3
5
123
136.67
mp-1223918
-8.433357
-6.693309
5.634505
other
Ho2In1Ag1
4
123
98.61
mp-1222137
-8.181504
-6.523769
2.492526
other
Mg3Hg1Au2
6
123
110.66
mp-1207261
0.679918
1.118977
-3.442221
other
Tm2Br2F1
5
123
196.75
mp-1184406
12.466997
10.205934
0.489116
other
Eu2W2O5
9
123
126.64
mp-1229006
-5.976369
-3.359877
-2.19208
other
Ag1Sn1Te2
4
123
114.65
mp-19988
-8.094473
-3.89202
5.364738
other
Sm1Ga5Co1
7
123
121.51
mp-1206149
-6.473665
-4.973349
3.769473
other
La2Ge3Ir3
8
123
173.09
mp-1539038
8.868554
1.104058
1.35104
other
Al2Tl4F10
16
123
288.22
mp-1216633
-7.606038
-2.088559
4.530639
other
U1Ru2Rh1
4
123
62.83
mp-1206628
-3.438239
-2.544893
-3.538476
other
Er2S2F1
5
123
143.18
mp-1216640
-6.604663
-3.4183
4.771122
other
Ti1Zn1Ga2
4
123
59.46
mp-1185757
12.099113
8.02073
1.426878
other
Mg2Al2O5
9
123
90.92
mp-1211271
0.585887
1.756193
-3.370865
other
La2I2O1
5
123
310.43
mp-1221934
1.445088
1.806173
2.407484
other
Mg1Ta1N2
4
123
41.35
mp-1207250
0.715938
1.565588
-3.361579
other
Sr2Br2F1
5
123
474.6
mp-1207292
-5.091927
-4.49328
5.859974
other
Dy2Si3Ir3
8
123
158.03
mp-1221704
-7.653426
-1.838652
2.945087
other
Mn1Co1Pt2
4
123
56.04
mp-12940
-8.145565
-5.365522
4.335671
other
Ho1In5Rh1
7
123
158.81
mp-1207334
-2.394021
-8.248218
2.084633
other
Hf2Cu1Si3
6
123
2,480.39
mp-1219901
-9.185369
-1.966955
3.73587
other
Pr4B3Rh12
19
123
298.26
mp-1221696
-8.393626
-3.925813
2.081744
other
Mn1Fe1Pd6
8
123
116.96
mp-643738
3.395008
-0.661214
-2.49001
other
Eu1Mg2H6
9
123
110.74
mp-1221683
-7.455399
-1.645443
3.637128
other
Mn6Pt1Rh1
8
123
113.83
mp-1206824
-7.634329
-4.018732
5.531571
other
Np1Ga5Fe1
7
123
125.09
mp-1016639
-7.508272
-11.243484
6.185976
other
Ba1Mg6Mo1
8
123
197.33
mp-1216827
-7.468212
-6.110942
4.206525
other
Tm1In2Sn1
4
123
98.02
mp-28650
0.060776
1.718413
-5.123423
other
Cs1Br2F1
4
123
133.61
mp-1206228
-5.795653
-5.025838
1.15583
other
Ce2Ag3Sb3
8
123
211.56
mp-1221871
-8.493894
-3.997519
2.016092
other
Mn5B1Pd15
21
123
316.1
mp-753990
8.41815
1.201097
1.80025
other
Ba1Y2F8
11
123
189.57
mp-1095585
-7.883471
-4.218765
5.771615
other
Er2Ga8Fe1
11
123
199.12
mp-756784
-3.60105
-1.311545
-5.339276
original
Li1Sb1S2
4
123
80.89
mp-19911
-7.975931
-5.695521
4.31619
other
Tm1In5Co1
7
123
151.85
mp-1207262
1.146613
1.931631
-3.677406
other
Nd2Cl2O1
5
123
239.17
mp-1207224
-4.968021
-4.929543
6.59214
other
Pr2Mn1Si2
5
123
122.5
mp-1219193
-7.846686
-1.488323
2.507941
other
Si1Ni6Ge1
8
123
85.64
mp-1228460
-8.218603
-1.626456
2.549387
other
Al4Ni15Sn1
20
123
234.09
mp-1227039
10.913118
9.188704
1.965223
other
Ca1U1O4
6
123
75.78
mp-1025447
-5.416178
-2.811779
-4.503925
other
Tl1Cu4Se3
8
123
151.5
mp-21414
-8.097435
-5.597557
4.43931
other
La1In5Co1
7
123
164.29
mp-1222393
12.643537
12.780605
-0.714213
other
Li1V1O2
4
123
35.96
mp-1219492
-5.596765
-1.881455
4.54618
other
Re1Si4Mo1
6
123
80.88
mp-1206969
-5.429753
-4.007583
0.268789
other
U2Bi1Te2
5
123
166.35
mp-601846
-7.951109
-5.508967
3.904673
other
Yb2In8Ir1
11
123
267.25
mp-1206965
-6.919138
-6.360361
6.351729
other
Pr2Ti1Ge2
5
123
134.52
mp-1215344
-6.097914
-3.717836
3.786879
other
Zr8Ag1Pd3
12
123
244.18
mp-1173656
7.078155
8.491287
-1.028403
other
Na2Pr1O3
6
123
109.68
mp-1184045
6.541498
11.11831
0.246628
other
Eu2Co2O5
9
123
114.38
mp-1077944
-7.165907
-3.81165
0.505822
other
Hg1Pd5Se1
7
123
116.67
mp-1217065
-6.13581
-3.067962
3.899446
other
Ti8Cu3Ni1
12
123
180.27
mp-1025302
-7.787859
-4.445314
1.416859
other
Hg1P1Pd5
7
123
110.21
mp-1221036
8.561715
1.107436
1.803468
other
Na1Er1F4
6
123
75.59
mp-1224867
-7.274457
-0.75568
3.835983
other
Ga2Fe1Co1
4
123
48.35
mp-1208258
0.279804
1.470655
-3.185139
other
Th2I2N1
5
123
258.04
mp-1206324
-5.40044
-4.614868
5.44143
other
Tb2Si3Pt3
8
123
161.69
mp-1025161
-7.546751
-4.071614
1.361305
other
In1P1Pd5
7
123
108.92
mp-1207301
-3.839838
-3.183641
-3.19156
other
Nd2Se2F1
5
123
145.07
mp-2861134
-6.885744
-10.517403
6.337784
other
K1Mg6Zr1
8
123
209.46
mp-1021478
-7.109866
-10.614339
6.498148
other
Sr1Mg6Ti1
8
123
200.95
mp-1220963
-2.630291
-2.653741
-5.727874
other
Na1Nd1S2
4
123
95.29
mp-1229008
-4.520358
-2.573764
-3.832091
other
Ag1Sb1Se2
4
123
96.92
mp-1023366
-7.260854
-10.151017
6.480175
other
Ca1Y1Mg6
8
123
210.35
mp-1025294
-7.33543
-4.224185
1.243052
other
Cd1As1Pd5
7
123
113.49