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-1208450
-2.845771
-7.27424
1.146394
other
Th2As3
5
123
2,549.05
mp-1222584
-7.075772
-6.96836
2.953912
other
Li6Ag4
10
123
161.17
mp-1228713
-8.346998
-1.578094
2.574064
other
Al4Ni15
19
123
221.03
mp-1209830
1.07015
1.76395
-3.724767
other
P1Br2
3
123
1,483.32
mp-20494
-5.450545
-4.183733
0.797544
other
La1As1
2
123
51.57
mp-1094964
-5.479759
-4.360473
4.264174
other
Hf1Mg1
2
123
43.32
mp-1963
-6.643584
-2.10139
3.885447
other
Nb2Rh2
4
123
63.33
mp-1225751
-8.897865
-4.439979
2.874962
other
Cu6Pd4
10
123
128.97
mp-988939
-4.5429
-4.867458
0.326666
other
Al1As1
2
123
39.68
mp-636095
-5.261267
-4.543353
4.05934
other
Zr3Cd2
5
123
164.55
mp-2685
-8.004992
-5.758333
1.839653
other
Hg2Pd2
4
123
70.76
mp-1217113
-6.96637
-2.328861
4.13399
other
Ti6Ir4
10
123
154.41
mp-1147530
-0.483178
1.342705
-4.28705
other
Cu1Br2
3
123
98.27
mp-1220519
0.927678
1.668752
2.778001
other
Nb4N3
7
123
121.23
mp-1187573
-6.348937
-7.872156
4.94411
other
Yb1Mg1
2
123
60.98
mp-1220479
0.564305
1.384889
2.859894
other
Nb8N5
13
123
169.07
mp-1601
-6.748746
-1.834272
4.365469
other
Ta1Ru1
2
123
31.53
mp-1206750
-7.673367
-2.330483
2.736592
other
Cr1Pt1
2
123
29.81
mp-2831
-7.896059
-1.648771
2.76856
other
Fe2Pd2
4
123
54.94
mp-1226058
-8.083681
-1.153928
3.976349
other
Co4Ge1
5
123
69.58
mp-601820
-7.934974
0.33378
3.685546
other
Fe3Co1
4
123
45.78
mp-1079286
5.690608
2.841397
-3.343883
other
Ir1C4
5
123
52.06
mp-1359
-6.682682
-2.08812
3.927421
other
Nb2Ir2
4
123
64.19
mp-1206389
-5.533937
-4.532819
3.931739
other
Zr2Cd2
4
123
102.7
mp-1227283
-6.561301
-5.644133
0.574389
other
Bi1Au1
2
123
55.82
mp-1224016
-8.023482
-3.11501
2.471191
other
Hg1Pt3
4
123
67.85
mp-1187597
-7.898705
-9.508671
6.81848
other
Tm1Mg3
4
123
97.66
mp-1018715
-5.644351
-4.002208
3.950969
other
Hf5Pb1
6
123
137.07
mp-641526
-7.892393
0.376695
3.747244
other
Fe13Co3
16
123
184.43
mp-2728
-7.568808
-1.347164
3.717167
other
Mn1Ir1
2
123
25.99
mp-1217367
-3.623101
1.825729
2.984632
other
Th4B30
34
123
349
mp-1224475
-7.947221
-2.846646
2.612843
other
Hf4Pt16
20
123
318.27
mp-1219667
-6.237029
-4.479093
3.267096
other
Pu1Ga1
2
123
42.99
mp-1213016
-0.356278
2.326498
-3.222496
other
Cu1I2
3
123
130.63
mp-1066029
-5.423097
-6.266932
0.872711
other
Rb1Bi1
2
123
84.71
mp-1206225
-4.309182
-4.730457
-1.583023
other
Tb2Te3
5
123
3,445.42
mp-2213
-8.148308
0.060983
3.376316
other
Fe2Ni2
4
123
44.57
mp-11470
-7.359684
-6.948567
1.952246
other
Hg2Pt1
3
123
67.62
mp-1221697
-6.724247
-0.593486
3.762975
other
Mn3Si1
4
123
44.29
mp-1225436
-5.450146
-4.237229
-0.973728
other
Er1Te1
2
123
69.93
mp-1206747
-7.635752
-7.353481
5.643722
other
Lu1Tl1
2
123
50.94
mp-1225009
-8.021306
0.196962
3.496982
other
Fe6Ni4
10
123
113.77
mp-19933
-5.898987
-4.375335
1.934219
other
Pu1Sb1
2
123
53.15
mp-1696
-8.361297
-5.152181
2.187682
other
Cd2Pd2
4
123
68.14
mp-1018890
-4.110783
-3.975105
0.642559
other
Pa1P2
3
123
63.92
mp-1961
-5.792834
-3.654728
3.737175
other
Ti1Ag1
2
123
34.81
mp-1220048
-5.348813
-4.357306
-0.790194
other
Nd1Te1
2
123
76.44
mp-19889
-6.370975
-6.042327
4.9731
other
Th2Pb2
4
123
120.53
mp-2260
-7.945508
-1.272349
3.007616
other
Fe1Pt1
2
123
27.81
mp-1206652
-6.175224
-4.212761
4.037947
other
Hf2Au2
4
123
91.2
mp-1212550
-2.7815
-8.239518
1.58204
other
Sc3Sb2
5
123
6,918.68
mp-635471
-6.120111
-5.121291
2.001806
other
Ce1Bi1
2
123
63.07
mp-985281
-4.269874
-6.431847
1.82966
other
Cs1Ir1
2
123
56.01
mp-1207317
-3.057385
-6.646418
1.506742
other
U2P3
5
123
2,135.68
mp-2313
-6.804974
-7.769907
3.375334
other
Mg1In1
2
123
45.28
mp-2767
-6.129197
-2.793295
4.221642
other
Ti2Ga2
4
123
61.8
mp-21468
-6.265174
-4.480593
3.166634
other
Pu1In1
2
123
51.76
mp-1216590
-7.5347
-6.792885
6.924907
other
Tm3Mg1
4
123
114.04
mp-1206519
-2.562223
-8.30773
1.428831
other
Hf2Sb3
5
123
2,704.93
mp-1009230
-5.419361
-4.144519
0.674359
other
Nd1As1
2
123
49.42
mp-1206672
-5.695839
-4.55804
4.063756
other
Hf2Cd2
4
123
100.75
mp-1207100
-8.129581
-5.777503
5.075565
other
Sc1In1
2
123
44.71
mp-1009223
-4.802065
-5.340127
0.425446
other
Na1As1
2
123
41.24
mp-1223984
-6.391895
-6.950283
2.179681
other
Hg1Pb3
4
123
118.1
mp-1223320
7.456242
8.307015
-1.983895
other
K1O2
3
123
81.42
mp-11798
-7.7572
-0.29292
3.442363
other
Fe3Pt1
4
123
52.62
mp-2678
-7.512974
-2.067505
2.947941
other
V2Pt2
4
123
56.18
mp-1216314
-8.139272
-1.014901
2.925054
other
V1Ni3
4
123
45.25
mp-1100166
-7.893054
-9.533504
6.888515
other
Y1Mg3
4
123
100.77
mp-22924
-5.948596
-6.163412
0.759067
other
Na1Bi1
2
123
56.44
mp-20034
-5.98944
-7.178641
3.25846
other
Ca2Pb2
4
123
117.73
mp-432
-6.670394
-1.865223
4.137002
other
Nb1Ru1
2
123
31.93
mp-1207306
-4.17457
-4.96747
-1.34665
other
Y2Te3
5
123
3,341.33
mp-11291
-7.498603
-6.332381
4.772615
other
Ce1Cd1
2
123
57.08
mp-1208665
6.628777
6.043491
-3.755764
other
Sr1O4
5
123
1,034.32
mp-1644
-6.293276
-5.104742
2.105363
other
Pr1Sb1
2
123
59.46
mp-22902
-6.141136
-5.977405
0.609533
other
Li1Bi1
2
123
47.63
mp-1094883
-6.55293
-8.791908
4.767278
other
Mg1Ga1
2
123
36.63
mp-21140
-5.797955
-4.416369
1.225931
other
Ce1Sb1
2
123
56.03
mp-1797
-7.815547
-0.9415
3.179018
other
Mn1Ni1
2
123
24.73
mp-554055
-2.644116
-2.734628
-5.438698
other
Ho2S2
4
123
413.34
mp-1208426
-2.649607
-8.304034
1.644923
other
Tm2Ga12
14
123
3,680.2
mp-1094998
-5.922967
-9.731065
5.183779
other
Ca1Mg1
2
123
62.63
mp-1227975
-3.894053
-6.301589
2.985097
other
Ba1C2
3
123
93.47
mp-1216825
-5.816882
-3.05624
3.915788
other
Ti2In2
4
123
75.91
mp-999542
-7.424717
0.301829
4.106136
other
Mn1Fe3
4
123
46.01
mp-998945
-7.207883
-2.217163
3.299252
other
Ti1Ni1
2
123
26.81
mp-1221564
-5.641764
-4.976412
0.491939
other
Mn1Sb4
5
123
142.29
mp-1094673
-6.234333
-9.258954
4.45804
other
Li1Mg1
2
123
40.54
mp-1094974
-5.509161
-4.005964
3.930175
other
Mg1Zr1
2
123
44.44
mp-2673
-6.418101
-7.030882
3.435286
other
Yb1Pb1
2
123
58.23
mp-1207258
-4.218416
-4.777096
-1.436915
other
Dy2Te3
5
123
3,312.15
mp-1215488
-8.983829
-4.948981
2.542401
other
Zn5Pd3
8
123
112.16
mp-11870
-7.693976
-6.925366
2.407604
other
Hg2Rh1
3
123
64.42
mp-34260
8.450728
1.717369
1.085484
other
Zr1F4
5
123
350.61
mp-1222002
-3.134818
1.612188
2.817413
other
Mg2B6
8
123
107.8
mp-1014332
6.362496
3.818494
-2.590837
other
C24N8
32
123
335.45
mp-21098
-6.295599
-4.575714
3.146255
other
U1Pb1
2
123
55.08
mp-1652
-8.710662
-4.668411
2.23852
other
Zn2Pd2
4
123
55.99
mp-995196
6.927814
5.061001
-1.93646
other
C1O3
4
123
33