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-1187432
-6.220376
-1.526154
3.932367
other
Ti2Co1Mo1
4
225
56.79
mp-1232425
-8.929913
-5.86384
6.593693
other
Gd2Ni1Ir1
4
225
80.29
mp-1185324
-7.900953
-6.628947
6.172048
other
Li1Dy2In1
4
225
102.57
mp-862300
-8.377401
-4.719168
5.325587
other
Sc2Ga1Os1
4
225
69.59
mp-972526
-8.824421
-6.309663
2.723313
other
Sm1Sn1Au2
4
225
88.38
mp-980942
-7.933816
-9.018225
6.994849
other
Y1Tm1Mg2
4
225
107.83
mp-862379
-8.280369
-4.884782
5.221874
other
Sc2Tc1Ag1
4
225
72.17
mp-973056
-6.646062
-7.335651
2.519084
other
Na2Cd1Hg1
4
225
100.26
mp-1187335
-8.950751
-5.40663
6.097898
other
Tb1Dy1Rh2
4
225
79.45
mp-1187598
-7.873652
-6.728667
6.317152
other
Tm2Mg1Cd1
4
225
101.2
mp-1187823
-8.058633
-6.764834
5.752707
other
Tm2In1Hg1
4
225
99.17
mp-971979
-8.627516
-6.730473
5.289385
other
Tm2Zn1Ag1
4
225
87.78
mp-866169
-5.526536
-6.623251
1.102075
other
K1Tl2Bi1
4
225
133.04
mp-1193884
-8.137399
-2.825134
5.357965
other
Zr6Ga16Ru7
29
225
480.76
mp-862883
-7.829531
-8.236324
3.946188
other
Ca1Pm1Hg2
4
225
106.96
mp-642031
-5.369576
-7.093323
3.64862
other
Sr22Al8In6
36
225
1,357.93
mp-1183617
-7.720098
-6.862931
2.743347
other
Ca1In1Ag2
4
225
86.25
mp-1183204
-5.410548
-7.221671
3.078945
other
Ba2Cd1Hg1
4
225
150.07
mp-978265
-8.353138
-9.324803
4.514058
other
Mg2Zn1Pd1
4
225
65.25
mp-864968
-8.066459
-2.265967
3.312963
other
Mn1In1Rh2
4
225
61.3
mp-865020
-8.234821
-3.041482
4.204485
other
Hf1Mg1Ir2
4
225
63.71
mp-1193912
-8.294335
-0.400942
2.43844
other
Ti3Ni20B6
29
225
283.73
mp-864743
-6.795942
-7.0567
3.974284
other
Yb2Tl1Cd1
4
225
111.38
mp-866213
-6.146218
-1.205334
4.034362
other
Ti1Tc2Mo1
4
225
59.63
mp-1184107
-8.583257
-6.192947
6.478611
other
Dy2Zn1Rh1
4
225
85.17
mp-641573
-5.942337
-0.174079
3.341923
other
Cr21Mo2C6
29
225
295.68
mp-1110923
-0.37097
1.00061
-4.302939
other
K3Sc1Br6
10
225
370.08
mp-973843
-5.37227
-4.573889
0.896896
other
Pa2Sb1Te1
4
225
109.48
mp-978536
-8.253628
-7.683929
4.560402
other
Sm1Ho1Hg2
4
225
103.59
mp-1186604
-7.451314
-5.992501
6.564684
other
Pm1Lu1Al2
4
225
93.09
mp-974517
-8.00902
-8.877332
6.928343
other
Nd1Er1Mg2
4
225
111.87
mp-1111140
8.984308
0.298535
0.396755
other
K3Ni1F6
10
225
167.75
mp-865271
-8.612292
-3.190323
4.024586
other
Lu1Mg1Rh2
4
225
66.35
mp-864924
-8.066794
-8.004373
3.545045
original
Nd1Mg1Hg2
4
225
96.5
mp-723704
8.075439
2.229997
-1.102757
other
Pt1N2F6
9
225
135.52
mp-1184662
-8.518003
-6.59519
5.695432
other
Ho2Ga1Ag1
4
225
91.18
mp-1112949
-1.165348
3.107733
-3.090047
other
Cs3Tl1I6
10
225
582.69
mp-864628
-7.864079
-6.659843
5.69702
other
Pm2Sn1Pd1
4
225
104.15
mp-867157
-8.184791
-8.127843
3.211014
other
Sm1Cd1Hg2
4
225
94.5
mp-1185508
-8.801766
-5.428095
4.653438
other
Lu1Sc1Cu2
4
225
71.92
mp-1112176
1.445999
2.600246
-5.780368
other
Cs2Tl2Cl6
10
225
348.57
mp-865121
-7.421109
-6.681801
2.623229
other
Na1Sr1Au2
4
225
100.09
mp-1113311
1.657547
2.589209
-5.294525
other
Na3Au1Cl6
10
225
277.62
mp-867125
-7.685754
-2.146836
3.989526
other
Al2Ru1Pt1
4
225
54.21
mp-1186417
-5.648996
-4.007153
-0.750286
other
Pa1Te2Pd1
4
225
97.35
mp-1209966
-7.740143
-4.28779
1.373759
other
Nd3P6Pd20
29
225
463.64
mp-862297
-8.160302
-2.538298
3.420413
other
Li1Al1Rh2
4
225
50.68
mp-1184604
-7.119908
-2.355688
4.525551
other
Hf2Os1Ru1
4
225
67.61
mp-1186389
-6.979011
0.007217
5.253516
other
Pa1Al1Fe2
4
225
64.47
mp-1197322
6.083588
8.817946
-2.687956
other
Fe1Sn1O6
8
225
114.11
mp-865273
-5.932813
-1.720772
4.280008
other
Tm1U1Tc2
4
225
77.27
mp-976236
-6.026845
-7.461352
3.169778
other
Na1Ca1Tl2
4
225
109.9
mp-1183507
-8.231999
-5.547319
3.705886
other
Ca1Ce1Pd2
4
225
90.04
mp-864923
-8.542742
-4.695448
2.265789
other
Mg1Zn1Pd2
4
225
58.79
mp-1187818
-7.88658
-6.907526
2.657193
other
Yb1Ag2Pb1
4
225
91.68
mp-973874
-6.997214
-6.43775
6.107327
other
Li1La2Al1
4
225
113.41
mp-865805
-6.983703
-1.066805
3.448182
other
Ta1Zn1Co2
4
225
50.71
mp-863652
-8.722735
-6.237202
6.675782
other
Ho2Cd1Os1
4
225
88.41
mp-1186961
-7.799668
-6.542887
4.71906
other
Sc2Tl1Hg1
4
225
89.06
mp-21175
-7.531849
-1.854889
2.921336
other
Ta1Ga1Ni2
4
225
51.98
mp-977561
-7.698658
-2.152034
4.098763
other
Li1Ta1Ir2
4
225
57.41
mp-980426
-8.432103
-6.770924
3.674444
other
Tm1Al1Ag2
4
225
75.86
mp-1212386
-7.720613
-4.256332
1.362027
other
Ho3P6Pd20
29
225
451.15
mp-865007
-7.966385
-6.673209
6.103297
original
Dy2Mg1In1
4
225
104.72
mp-4972
-9.106947
-5.039624
4.295765
other
Lu1In1Cu2
4
225
68.12
mp-1185182
-7.575948
-6.951402
4.552936
other
La1Eu1Cd2
4
225
120.76
mp-1187216
-7.111894
-7.498505
2.412327
other
Sr1Hg2Pb1
4
225
113.03
mp-977549
-7.077145
-2.47177
4.475673
other
Zr2Os1Ru1
4
225
69.89
mp-861946
-7.597727
-5.997806
6.206573
other
Er2Mg1Al1
4
225
95.32
mp-1185409
-7.529689
-6.153302
5.315767
other
Li1Pm1Ga2
4
225
82.15
mp-865586
-7.374063
-1.390542
4.135237
other
V1Ga1Ru2
4
225
53.5
mp-862728
-8.46964
-6.68252
6.687638
other
Pm2Zn1Ru1
4
225
89.25
mp-979258
-8.247965
-7.155244
5.274006
other
Tm2Cd1Hg1
4
225
97.54
mp-867871
-8.801021
-6.853106
5.206999
other
Sm1Mg1Zn2
4
225
81.02
mp-865648
-6.771657
-6.804319
3.722972
other
Yb2Cd1Pb1
4
225
113.45
mp-19872
-7.10955
-3.926714
4.896889
other
U1Al2Cu1
4
225
73.24
mp-1111896
1.295493
2.080581
-5.504799
other
Na3Er1Cl6
10
225
296.39
mp-1185527
-5.832594
-1.238716
4.277487
other
Lu1Pa1Re2
4
225
78.32
mp-862939
-7.812304
-7.105217
4.42658
other
Pm1Mg1Cd2
4
225
95.92
mp-1215481
-3.487732
1.766522
2.990541
other
Yb1Sm1B12
14
225
139.74
mp-1187195
-6.202339
-1.888387
3.971573
other
Ta2V1Ir1
4
225
62.96
mp-972022
-8.66234
-6.086158
6.395286
other
Tm2Zn1Rh1
4
225
79.67
mp-865446
-8.450871
-7.081508
5.149734
other
Lu2Ag1Hg1
4
225
91.12
mp-10130
-8.630569
-0.625772
2.525403
other
U2Ni21B6
29
225
292.92
mp-862738
-6.845695
-4.238651
2.953824
other
Pu1Cd1Rh2
4
225
71.9
mp-979073
-8.004874
-8.980001
6.532904
other
Tm1Mg2Sc1
4
225
98.95
mp-864598
-7.370831
-9.867978
4.202652
other
Li1Mg2Ag1
4
225
72.53
mp-1187492
-5.991428
-1.218272
4.097142
other
Ti1Tc2Sn1
4
225
63.52
mp-1185233
-6.734986
-6.806769
4.773881
other
Li2Y1In1
4
225
79.69
mp-1184088
-7.823791
-7.040425
5.56796
other
Er2Tl1In1
4
225
103.49
mp-865356
-7.677547
-6.144936
6.404413
other
Tm2Mg1Al1
4
225
94.11
mp-10261
-6.712606
-2.229122
1.729213
other
Ti1Ni2Sb1
4
225
57.28
mp-1183086
-7.192666
-7.813054
4.657094
original
Ac2Cd1Hg1
4
225
133.07
mp-864672
-6.020083
-1.345796
4.104355
other
Nb1Si1Tc2
4
225
58.35
mp-977404
-8.699787
-6.108574
6.433868
other
Nd2Ag1Ir1
4
225
96.31
mp-975997
-6.138583
-7.111826
3.063313
other
Na1Li2Pb1
4
225
87.38
mp-866288
-7.357991
-0.778074
3.493512
other
Be1V1Co2
4
225
40.9
mp-977430
-7.09667
-1.892107
4.311026
other
Mg1Nb1Ru2
4
225
61.01
mp-982010
-8.053784
-7.06017
5.178985
other
Pr2Cd1Ag1
4
225
111.65
mp-864734
-8.578884
-4.753644
2.990215
other
Hf1In1Pd2
4
225
70.04