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-861734
-8.536042
-6.182379
2.605931
other
Ac1Zn1Au2
4
225
95.45
mp-30062
-0.608551
1.227394
-4.571018
other
Cs2Pt1Br6
9
225
316.29
mp-978544
-7.590083
-7.392222
5.586058
other
Sm1Lu1Tl2
4
225
107.65
mp-971926
-8.851924
-5.227143
6.48416
other
Y1Er1Ru2
4
225
76.55
mp-865924
-8.699271
-6.231646
2.846765
other
Li1Zr1Au2
4
225
71.09
mp-862953
-7.949993
-5.731409
1.842555
other
Pm1Sb1Au2
4
225
91.12
mp-1111487
1.311621
2.117015
-5.495231
other
Na3Y1Cl6
10
225
300.94
mp-1184286
-6.403567
-7.065122
3.175181
other
Eu2Tl1Sn1
4
225
123.99
mp-1110766
-1.216103
2.960698
-2.989414
other
Rb3Sb1I6
10
225
548.29
mp-1185615
-8.468365
-1.850488
2.742218
original
Mg1Zn1Ni2
4
225
49.62
mp-978512
-7.944249
-8.753507
6.95444
other
Sm1Tm1Mg2
4
225
109.73
mp-864944
-6.185872
-1.297476
4.291232
other
Mn1Be2Pt1
4
225
44.36
mp-1187639
-8.953435
-5.653423
6.111473
other
Tm2Pd1Rh1
4
225
78.23
mp-864976
-8.048054
-5.107134
3.546428
other
Mg2Ag1Ir1
4
225
64.09
mp-1185194
-7.419688
-6.791085
5.401779
other
La2Tl1In1
4
225
125.12
mp-1110693
1.308189
2.591175
-5.858578
other
Rb3In1Cl6
10
225
344.63
mp-972966
-8.332791
-4.765153
4.992718
other
Sc2Os1Au1
4
225
71.04
mp-1185501
-7.185976
-7.360688
4.958194
other
Lu1Mg1Tl2
4
225
101.45
mp-864660
-7.181891
-2.750883
1.805061
other
Ho1Sb1Rh2
4
225
73.78
mp-1184110
-8.905076
-6.712808
4.325505
other
Er2Ag1Au1
4
225
89.68
mp-862702
-8.29941
-6.187626
4.302385
other
Sc2Ag1Hg1
4
225
82.87
mp-865336
-9.096888
-5.848506
6.481064
other
Lu2Os1Pd1
4
225
75.35
mp-861724
-7.572548
-7.00754
4.723985
other
Ac2Ag1Ir1
4
225
110.16
mp-1079107
4.403421
4.078381
-3.503151
other
Co1N6Cl2
9
225
119.08
mp-1006068
-8.675346
-6.083008
6.495694
other
Gd2Ag1Rh1
4
225
89.05
mp-1193450
-7.676731
0.32588
3.637701
other
Mn3Co20B6
29
225
276.79
mp-862951
-8.699144
-6.398674
2.548594
other
Pm1Pb1Au2
4
225
93.13
mp-980198
-8.669903
-6.776014
5.388153
other
Tm1Lu1Zn2
4
225
84.15
mp-863721
-8.788708
-5.836785
6.091328
other
Pm2Ir1Pt1
4
225
88.42
mp-862886
-8.077885
-4.614711
3.627313
other
Ca1Pm1Pt2
4
225
87.11
mp-1184318
-7.880994
-2.274495
3.87692
other
Ga2Ru1Pt1
4
225
58.04
mp-862888
-7.724408
-6.957953
4.863137
other
Ca1Pm1Zn2
4
225
96.57
mp-1187437
-9.165763
-5.207105
4.332127
other
Th1Cd1Cu2
4
225
79.06
mp-861948
-7.028276
-6.818424
6.247103
other
Li1Pm2Al1
4
225
104.18
mp-977400
-8.562685
-2.938255
3.892563
other
Er1In1Rh2
4
225
70.43
mp-977555
-8.188141
-2.987859
3.674835
other
Mg1Nb1Rh2
4
225
61.83
mp-1193834
-7.99568
-3.352555
4.78382
other
Ti6Ga16Rh7
29
225
455.58
mp-863670
-8.508089
-6.282561
6.141079
other
Pm2Cu1Rh1
4
225
86.97
mp-981365
-6.225326
-0.815879
3.712994
other
V2Re1Ru1
4
225
54.61
mp-1186806
-8.393822
-6.132285
2.395498
other
Pu1Ag1Au2
4
225
86.13
mp-1187200
-6.387121
-1.758926
4.122766
other
Ta2Tc1Ru1
4
225
63.43
mp-1185021
-8.823309
-5.746646
6.550213
other
La1Pm1Ru2
4
225
86.54
mp-867801
-7.602911
-6.529555
4.484841
other
La2Ag1Sn1
4
225
119.17
mp-976939
-9.00223
-5.668068
6.235641
other
Ho2Os1Pt1
4
225
81.16
mp-1184998
-8.628553
-3.13792
3.888824
other
Gd1Cd1Rh2
4
225
72.84
mp-867837
-7.326406
-1.268201
4.110321
other
Be1Cr1Ru2
4
225
47.19
mp-972993
-8.967445
-6.442179
2.928017
other
Li1Sm1Au2
4
225
83.41
mp-1187857
-8.229239
-7.784988
4.557356
other
Y1Lu1Hg2
4
225
98.04
mp-1184533
-7.596747
-7.428144
5.609026
other
Gd1Ho1Tl2
4
225
108.44
mp-865381
-9.060018
-5.67228
6.422562
other
Tm2Ir1Ru1
4
225
74.69
mp-865080
-8.607315
-6.091351
3.166078
other
Na1Ce1Au2
4
225
93.45
mp-865140
-7.427631
-1.379208
4.051078
other
Mn1Ga1Ru2
4
225
53.12
mp-866179
-6.699794
-7.112795
4.654765
other
Li2Nd1Tl1
4
225
84.46
mp-865255
-7.174428
-2.179011
4.33444
other
Lu1Nb1Ru2
4
225
67.31
mp-1183541
-8.45217
-5.752945
2.523768
other
Cd2Rh1Au1
4
225
69.95
mp-867910
-8.979327
-6.459105
2.790568
other
La1Ag1Au2
4
225
90.48
mp-1186141
-7.254978
-7.517615
2.209279
other
Na1Mg1Hg2
4
225
87.95
mp-972542
-8.861626
-6.570414
2.791452
other
Sm1Tl1Au2
4
225
90.52
mp-867775
-7.486433
-1.815813
4.266116
other
Al2Ni1Ru1
4
225
49.9
mp-864684
-6.550002
-2.797919
4.267278
other
Hf2Mo1Ir1
4
225
69.59
mp-865096
-7.151042
-7.376177
4.935133
other
Na1Ho1Tl2
4
225
103.71
mp-1018068
-6.688903
-0.376794
3.500198
other
Cr1Fe2Si1
4
225
43.68
mp-862919
-8.059943
-8.12017
3.492242
other
Pm1In1Hg2
4
225
98.63
mp-570611
-8.9512
-6.413299
2.859636
other
Pr1In1Au2
4
225
90.51
mp-1183867
-7.383196
-6.172106
5.087655
other
Ce2Cd1In1
4
225
113.29
mp-24292
3.243714
-0.775094
-2.208167
other
Sr2H6Ru1
9
225
109.73
mp-1111076
9.305169
1.127363
1.097343
other
Li3Ga1F6
10
225
114.25
mp-977575
-7.40012
-2.218534
3.496646
other
Mg1Sb1Ru2
4
225
61.19
mp-22725
-9.000573
-4.75387
4.107013
other
Ti1In1Cu2
4
225
59.64
mp-1183760
-7.858498
-6.543673
4.247571
other
Ce2Ag1Hg1
4
225
109.65
mp-865751
-8.714516
-4.368346
4.84197
other
Yb1Dy1Rh2
4
225
77.39
mp-1147658
8.233306
10.760936
-0.632396
other
Cu6Sn1O8
15
225
191.68
mp-865426
-8.122265
-6.700789
3.899927
other
Yb1Nd1Ag2
4
225
102.26
mp-11371
-8.661717
-5.103732
3.229455
other
Er1In1Pd2
4
225
75.5
mp-974527
-8.306919
-6.969501
5.377459
original
Nd1Sm1Zn2
4
225
96.57
mp-977380
-7.982341
-9.589716
4.704889
other
Li1Mg2Pd1
4
225
66.57
mp-1206098
8.845058
1.689741
1.270778
other
Zr1Mn1F6
8
225
139.28
mp-975897
-7.42832
-3.086572
4.561318
other
Hf2Ru1Rh1
4
225
67.83
mp-867773
-7.938275
-7.118888
4.536689
other
Dy1Mg1Cd2
4
225
91.31
mp-864673
-8.11687
-4.09718
3.305899
other
Ho1Cd1Pt2
4
225
75.87
mp-861483
-8.788083
-5.837369
6.253257
other
Pr2Ir1Pd1
4
225
93.95
mp-862890
-7.73733
-6.76876
2.749
other
Ac1Ag2Sn1
4
225
100.84
mp-29556
1.483926
2.859401
-5.146409
other
Tl2W1Cl6
9
225
240.45
mp-1186560
-8.877364
-6.051529
5.063015
other
Pm1Er1Pd2
4
225
87.32
mp-1187346
-8.037098
-6.551496
5.786599
other
Tb1Ho1In2
4
225
104.58
mp-866112
-7.137367
-2.143444
4.36963
other
Ho1Nb1Ru2
4
225
69.08
mp-865587
-8.738595
-6.073983
6.302318
other
Y2Cu1Rh1
4
225
81.45
mp-867147
-6.658694
-7.558011
2.50302
other
Ba1Na1Hg2
4
225
126.33
mp-1112362
1.212303
2.500824
-6.076484
other
Cs3Pr1Cl6
10
225
441.58
mp-972630
-8.487311
-6.872094
5.342061
other
Sm1Er1Zn2
4
225
90.91
mp-976406
-8.242435
-3.203637
2.744254
other
Mg1Mn1Pt2
4
225
60.77
mp-972412
-9.122239
-5.344983
6.055851
other
Tm1Lu1Ir2
4
225
74.72
mp-976311
-8.896823
-5.154132
6.419874
other
Ho1Er1Ru2
4
225
75.5
mp-867310
-8.761899
-6.279825
2.887563
other
Ce1Sn1Au2
4
225
91.21
mp-973979
-8.494131
-4.466259
2.237372
other
Li1Fe1Pd2
4
225
53.75
mp-865512
-7.913754
-7.062895
4.545979
other
Y1Mg1Cd2
4
225
92.16
mp-631442
12.600764
10.295679
1.658282
other
V2Cu1Br1
4
225
57.05
mp-23804
3.130835
-0.241992
-1.889215
other
Mg2Fe1H6
9
225
64.17
mp-864671
-8.488292
-2.750064
3.89607
other
Hf1Al1Rh2
4
225
61.18
mp-865028
-5.920832
-3.922918
-1.974203
other
Ac1Tl1Te2
4
225
135.23