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-865089
-7.019341
-7.180759
4.706307
other
Na1Ce1Tl2
4
225
111.27
mp-863713
-8.683243
-6.265243
6.351457
other
Pm2Ni1Ir1
4
225
84.24
mp-867333
-5.536319
-7.063617
3.201735
other
Ba2Cd1Pb1
4
225
156.84
mp-631619
-5.251368
-7.087678
3.430283
other
K1Ca1Ni2
4
225
87.37
mp-1193255
-8.509373
-0.466744
2.367831
other
Ga2Ni21B6
29
225
286.56
mp-641575
-5.865378
-0.148101
3.312002
other
Cr21W2C6
29
225
296.63
mp-972641
-9.127806
-5.535019
6.297111
other
Sm1Ho1Ir2
4
225
82.92
mp-1183101
-7.641219
-8.927423
6.49081
other
Ac1La1Mg2
4
225
132.95
mp-1207432
-8.312222
-5.122013
3.99788
other
Zr6Zn23Ge1
30
225
465.69
mp-1184956
-6.920171
-7.504288
2.70391
other
Li2Tl1Hg1
4
225
76.07
mp-865603
-8.979372
-5.626064
6.290475
other
Y2Ir1Rh1
4
225
79.84
mp-865460
-8.014103
-6.441433
4.076145
other
Ca1Ce1Ag2
4
225
104.83
mp-1188014
-7.575762
-2.71868
4.756079
other
Zr1Sc1Ru2
4
225
67.25
mp-1186222
-6.895106
-1.554703
4.384021
other
Nb1Ga1Os2
4
225
60.31
mp-865041
-8.300228
-3.93392
4.616619
other
Hf1Sc1Rh2
4
225
67.54
mp-973544
-8.53234
-6.149135
6.68164
other
Lu2Be1Os1
4
225
73.18
mp-1207160
1.500161
2.570134
-5.595607
other
Rb2Sb1Cl6
9
225
264.54
mp-1184399
-8.3676
-6.39541
6.705237
other
Gd2Mg1Ru1
4
225
91.61
mp-504520
8.482834
0.781779
0.891415
other
Rb2Eu6F20
28
225
434.43
mp-1183273
-5.069938
-7.189109
3.293314
other
Ba2Na1In1
4
225
169.3
mp-1209429
-8.167461
-4.403193
2.20117
other
Pr3Si6Pd20
29
225
469.82
mp-1185769
-8.196006
-4.003829
3.737451
original
Mg2Ni1Ir1
4
225
58.16
mp-865890
-6.048549
-7.095376
3.637886
other
Li2Ca1In1
4
225
87.9
mp-1185452
-9.074751
-6.144622
4.847681
other
Lu2Cu1Au1
4
225
81.01
mp-977361
-8.036206
-2.011421
3.453954
other
Zn1Fe1Rh2
4
225
53.17
mp-861506
-8.302198
-6.50598
6.851285
other
Pr2Zn1Ru1
4
225
95.32
mp-866127
-6.884598
-2.192585
4.331182
other
Lu1Ta1Os2
4
225
67.51
mp-1185506
-8.256064
-7.709731
4.230815
other
Lu1Sc1Hg2
4
225
90.37
mp-28145
1.586992
2.704365
-5.571088
other
Rb2Pd1Cl6
9
225
245.21
mp-863703
-7.66745
-7.088218
5.772771
other
Pm2Mg1Sn1
4
225
111.5
mp-973646
-8.316267
-6.994986
5.445071
other
Lu2Zn1Hg1
4
225
88.98
mp-631571
-6.560081
-5.471384
0.555747
other
Bi2Os1Au1
4
225
88.08
mp-1113994
1.42424
2.538281
-5.684235
other
Rb2Tl2Cl6
10
225
357.3
mp-1183070
-6.878794
-7.81362
4.866769
other
Ac2Tl1Sn1
4
225
139.09
mp-1113999
1.336025
2.581109
-5.844427
other
Rb3Al1Cl6
10
225
323.01
mp-1206547
7.057543
4.547585
-1.998242
other
Mg1B2N6
9
225
85.05
mp-861933
-8.188159
-8.206688
3.489581
other
Li1Tm1Hg2
4
225
84.6
mp-1184242
-8.884841
-5.081223
6.383523
other
Er1Tm1Ru2
4
225
74.55
mp-864789
-7.019016
-6.740549
3.260471
other
Yb2Sn1Hg1
4
225
109.15
mp-867847
-8.071381
-6.098513
6.323226
other
La2Zn1Ru1
4
225
97.39
mp-631592
-5.503536
-0.844197
3.769364
other
Re2Ru1Br1
4
225
61.72
mp-1194289
-7.728115
0.337638
3.591149
other
Ga2Co21B6
29
225
286.35
mp-1194441
-7.943303
-2.554223
5.441579
other
Ti6Ga16Os7
29
225
456.81
mp-976032
-8.438006
-6.859946
5.425869
other
Pr1Ho1Zn2
4
225
94.65
mp-1186372
-5.455092
-4.761863
1.187801
other
Pa2Bi1Te1
4
225
113.24
mp-862673
-8.189301
-6.342868
6.670053
other
Li1Y2Ru1
4
225
84.09
mp-862924
-8.646709
-5.062377
3.222217
other
Pm1In1Pd2
4
225
80.8
mp-1184264
-8.432513
-6.383475
2.656456
other
Eu1Zn1Au2
4
225
88.5
mp-862660
-8.53084
-6.094916
6.378598
other
Li1Er2Rh1
4
225
81.01
mp-978261
-6.100181
-0.873333
4.301371
other
Mn1Be2Co1
4
225
37.37
mp-977413
-8.161358
-8.122223
3.351982
other
Ho1Cd1Hg2
4
225
90.16
mp-861984
-9.102365
-5.643281
6.181998
other
Er2Ir1Pd1
4
225
79.1
mp-865343
-9.045309
-5.712229
6.538091
other
Tm2Ir1Os1
4
225
76.66
mp-866141
-6.736328
-0.460003
3.54915
other
Ti1Fe2Si1
4
225
45.01
mp-867146
-7.127561
-2.183792
4.276811
other
Sc1Nb1Ru2
4
225
64.18
mp-865238
-7.663434
-6.062929
6.269817
other
Lu2Mg1Al1
4
225
91.99
mp-862549
-6.775942
-7.521113
4.0983
other
Li1Ac1Tl2
4
225
117.5
mp-865092
-8.147331
-2.050473
2.792803
other
Mg1Ga1Ni2
4
225
49.95
mp-975769
-8.348196
-6.836825
5.391129
other
Pr1Y1Zn2
4
225
96.12
mp-974638
-8.42535
-6.812093
5.329213
other
Nd1Er1Zn2
4
225
92.78
mp-1214072
0.377338
2.253525
2.154966
other
Ce6Cr20N22
48
225
513.73
mp-1193532
-7.816774
-4.050235
3.924331
other
Ti6Ga16Pt7
29
225
471.03
mp-1186480
-7.549957
-7.106749
6.03189
other
Pm2Cd1Pb1
4
225
113.97
mp-1184111
-7.868698
-6.817139
6.358112
other
Dy2Mg1Cd1
4
225
105.32
mp-978521
-8.758044
-6.899529
4.825553
other
Sm1Zn2Cd1
4
225
79.75
mp-1188046
-6.133681
-1.833662
4.297403
other
Zr1Pa1Tc2
4
225
75.79
mp-1185432
-7.602755
-7.035164
2.826141
other
Li1Zn1Cd2
4
225
69.47
mp-10884
-7.49395
-0.422345
3.592407
other
Al1Fe1Co2
4
225
45.19
mp-867159
-7.992796
-8.591107
6.970213
other
Sm1Dy1Mg2
4
225
111.2
mp-726709
2.616656
3.034512
-4.181084
other
Ti1N2Cl6
9
225
226.16
mp-1110883
1.441999
2.706885
-5.40382
other
K3Mo1Cl6
10
225
317.19
mp-867204
-7.725282
-6.898911
2.479344
other
Li1Cd2Ag1
4
225
72.85
mp-3340
-6.853961
-1.057215
3.637139
other
Ta1Al1Co2
4
225
51.9
mp-1018013
-5.959661
-3.000242
3.8376
other
Ti2In1Ni1
4
225
66.33
mp-1184124
-9.066806
-5.677874
6.129059
other
Er2Cu1Ir1
4
225
77.63
mp-973314
-8.90878
-5.584478
6.04524
other
Ho2Pd1Rh1
4
225
80.46
mp-1185304
-7.813142
-6.112352
4.098057
other
Li1Al1Zn2
4
225
58.31
mp-862704
-8.507689
-4.468281
3.710523
original
Sc1Zn2Pt1
4
225
62.97
mp-1110729
-0.484446
1.225949
-4.557482
other
Rb3Sb1Br6
10
225
447.71
mp-1187464
-7.946859
-2.208279
3.938795
other
Ti1Al1Ir2
4
225
57.46
mp-972925
-9.095492
-5.895422
3.409405
other
Sc1Zn2Au1
4
225
66.78
mp-1208970
-7.743903
-4.271329
1.362552
other
Sm3P6Pd20
29
225
459.32
mp-7243
-8.283452
-4.600676
2.158561
other
Li1Sn1Pd2
4
225
62.51
mp-867222
-5.89322
-6.96592
3.904265
other
Li1Ca2Ir1
4
225
87.58
mp-1111081
8.336455
0.750297
0.581202
other
K3Pd1F6
10
225
186.55
mp-1113628
8.842396
0.231266
0.487294
other
Rb3Ni1F6
10
225
186.33
mp-568917
-8.387953
-6.981309
3.477828
other
La1In1Ag2
4
225
93.31
mp-1187840
-8.133126
-6.952417
5.256696
other
Y1Er1Cd2
4
225
102.15
mp-865994
-8.580099
-4.040612
4.57805
other
Yb1Sc1Rh2
4
225
70.06
mp-1111444
1.280056
2.088026
-5.485594
other
Na3Sc1Cl6
10
225
275.88
mp-1184636
-6.05053
-1.839732
4.23361
other
Hf1Th1Tc2
4
225
79.09
mp-1185849
-7.154044
-0.994176
3.698611
other
Mg1Co2Si1
4
225
46.54
mp-1187571
-8.247079
-4.368004
3.687557
other
Yb1Ho1Pt2
4
225
82.43
mp-976286
-9.00036
-5.291716
5.972368
other
Ho1Er1Rh2
4
225
77.16
mp-1186238
-8.111983
-6.783298
5.765034
other
Nd2Ga1Ag1
4
225
103.15
mp-1183419
-6.427756
-1.51651
3.969316
other
Be2Ir1Ru1
4
225
43.01
mp-865978
-7.961596
-7.706727
3.62027
other
Yb1Pr1Hg2
4
225
110.71
mp-1185306
-8.319066
-2.408641
3.626387
other
Li1Cr1Rh2
4
225
51.09
mp-861918
-7.656864
-6.538836
4.96207
other
Sc2Tl1Cd1
4
225
89.48
mp-1186439
-8.609922
-6.528971
6.635183
other
Pm2Ag1Os1
4
225
91.19