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-863742
-8.896894
-6.157267
6.608941
other
Pm2Ru1Rh1
4
225
84.55
mp-1180839
2.019011
2.889944
0.00279
other
K2Sn1N6
9
225
182.76
mp-865150
-8.508513
-6.092868
2.156041
other
Mg1Cd1Au2
4
225
73.1
mp-1100765
-7.962286
-7.090475
6.142867
other
Pm2Ga1Ag1
4
225
100.88
mp-862366
-7.920427
-6.422289
4.56865
other
Sc2Tl1Ag1
4
225
86.06
mp-866140
-8.470898
-4.530921
2.678008
other
Ti1Ga1Pd2
4
225
59.9
mp-977571
-8.131793
-2.707626
3.128221
other
Mg1Rh2Pb1
4
225
65.68
mp-862744
-8.592733
-6.519981
6.515683
other
Pm2Zn1Ir1
4
225
90.33
mp-1187930
-7.355711
-6.926595
3.878746
other
Yb2Zn1Hg1
4
225
99.44
mp-1187721
-7.470342
-7.145628
5.62336
other
Y2Mg1Tl1
4
225
107.4
mp-867148
-8.389126
-3.041662
4.043863
other
Li1Hf1Rh2
4
225
59.02
mp-1110580
8.966492
1.03763
0.232737
other
Li3Au1F6
10
225
135.64
mp-866051
-6.743663
-0.221901
4.219851
other
Hf1Fe2Sn1
4
225
58.26
mp-862976
-9.17394
-6.487164
3.799692
other
Pm1Zn2Au1
4
225
74.79
mp-1112645
-0.382058
1.079995
-4.774247
other
Cs3Y1Br6
10
225
483.09
mp-1184830
-9.040134
-5.856364
4.837628
other
Ho1Tm1Pd2
4
225
82.46
mp-1185328
-7.925526
-6.586347
6.122498
other
Li1Ho2In1
4
225
101.14
mp-865082
-7.902647
-6.591004
2.792521
other
Na1Ca1Au2
4
225
89.26
mp-977387
-8.257999
-8.012632
3.096992
other
Tb1Ag1Hg2
4
225
87.52
mp-1187708
-8.078526
-6.624339
6.069388
other
Y2Al1Ag1
4
225
96.41
mp-1184155
-8.057966
-3.614688
4.699429
other
Er1Hf1Ir2
4
225
74.31
mp-1208491
-6.659967
-4.417195
0.67488
other
Tb6Sb8Pd16
30
225
588.19
mp-3791
-7.704153
-2.227643
3.566694
other
Sc1Co2Sn1
4
225
59.18
mp-865321
-9.081891
-5.582478
6.352649
other
Lu2Ir1Ru1
4
225
72.74
mp-1111182
1.529779
2.529191
-5.66679
other
K3As1Cl6
10
225
328.16
mp-1184513
-8.936614
-6.324322
2.91443
other
Gd1Mg1Au2
4
225
85.98
mp-1185101
-8.15146
-6.793457
5.272739
other
La1Y1Zn2
4
225
98.83
mp-865796
-8.593624
-3.079231
3.839629
other
Lu1Cd1Rh2
4
225
68.85
mp-862360
-8.283421
-4.233425
4.749093
other
Sc2Ni1Ir1
4
225
64.97
mp-22493
-8.889945
-6.328481
2.885429
other
Y1In1Au2
4
225
83.92
mp-866292
-5.473494
-7.161151
3.145163
other
Ba2Tl1Cd1
4
225
153.93
mp-1185453
-7.804039
-7.132753
5.65831
other
Lu2Tl1Zn1
4
225
94.64
mp-865220
-8.924005
-6.236945
6.654158
other
Dy2Cu1Ru1
4
225
78.9
mp-1111078
8.587298
1.551123
0.883585
other
K3Ru1F6
10
225
174.18
mp-1193272
-7.889827
-3.947446
4.453272
other
Zr6Al16Pt7
29
225
481.68
mp-861916
-8.658109
-5.678777
6.076142
other
La2Ir1Pd1
4
225
95.96
mp-976159
-8.005327
-6.46429
5.622272
other
Pr1Er1In2
4
225
110.14
mp-1187271
-8.858928
-5.605875
6.043517
other
Tb2Pd1Rh1
4
225
82.7
mp-978542
-8.052966
-6.528752
5.71922
other
Sm1Er1In2
4
225
106.46
mp-1183818
-8.873135
-5.333306
6.353768
other
Dy1Lu1Ru2
4
225
74.65
mp-631553
-5.439793
-6.014921
3.136161
other
Ga2B1Sb1
4
225
75.17
mp-975801
-8.17246
-7.330976
3.506053
other
Pr1Tl1Ag2
4
225
95.23
mp-866185
-8.891248
-6.304662
3.009882
other
Ce1Cd1Au2
4
225
90.12
mp-1184322
-6.379621
-7.19905
3.53589
other
Eu2Tl1Zn1
4
225
116.06
mp-1205667
9.111943
0.872682
0.94243
other
Tl3Fe1F6
10
225
184.49
mp-863698
-7.344744
-6.922292
6.340802
other
Pm2Mg1Al1
4
225
106.82
mp-1187497
-8.141242
-2.398447
3.567716
other
Ti1Ge1Rh2
4
225
58.55
mp-866117
-8.878791
-6.017732
2.748676
other
Hf1Zn1Au2
4
225
69.54
mp-1187523
-5.385695
-4.500988
0.878353
other
Th2Sb1Te1
4
225
115.29
mp-867867
-9.031343
-6.283257
2.81441
other
Sm1Mg1Au2
4
225
85.28
mp-1184822
-7.698485
-2.670591
5.059392
other
Ho1Zr1Ru2
4
225
72.4
mp-977415
-9.030435
-6.346759
2.878648
other
Ho1Cd1Au2
4
225
81.98
mp-976008
-7.942003
-8.697134
6.954712
other
Nd1Tm1Mg2
4
225
111.35
mp-1212746
4.53108
2.53951
-3.285984
other
Fe2C6N6
14
225
242.14
mp-541753
-0.773849
1.36594
-4.428589
other
Cs2W1Br6
9
225
319.35
mp-1187935
-8.152454
-1.952062
2.635944
other
Zn1Ga1Ni2
4
225
46.99
mp-1183470
-5.930044
-7.142128
3.459388
other
Ca2Zn1Pb1
4
225
109.28
mp-862666
-8.577973
-2.814074
3.954898
other
Dy1Ga1Rh2
4
225
65.59
mp-1112980
-0.441406
1.275989
-4.731476
original
Cs3Bi1Br6
10
225
497.56
mp-977441
-8.475543
-3.512802
4.302803
original
Mg1Pa1Rh2
4
225
72.73
mp-631488
0.029065
1.603279
-2.693429
other
Ni1Ru1Br2
4
225
66.53
mp-1185393
-8.645171
-3.188731
4.089674
other
Li1Lu1Rh2
4
225
61.7
mp-865046
-8.149165
-4.079935
3.418223
other
Li1Pa1Pt2
4
225
74.15
mp-1110572
8.305037
1.087533
1.240088
other
Na3Bi1F6
10
225
179.64
mp-1111492
1.203907
2.317238
-5.754189
other
K3Eu1Cl6
10
225
366
mp-672221
-7.32761
0.316166
3.460524
other
Co21B6W2
29
225
281.55
mp-862775
-8.154617
-2.782424
3.503653
other
Li1In1Rh2
4
225
59.24
mp-1186791
-6.197461
-4.49848
2.120258
other
Pu2Sb1Au1
4
225
102.41
mp-865656
-6.400642
-0.871605
4.120992
other
Ti1Mn2W1
4
225
52.18
mp-1186451
-8.032
-6.657973
6.378121
other
Pm2Co1Cu1
4
225
86.38
mp-865797
-7.731699
-2.751127
3.589555
other
Lu1Co2Sn1
4
225
64.01
mp-999208
-5.723655
-3.263164
5.569953
other
Sc2Mn1Si1
4
225
65.34
mp-861878
-7.966391
-6.106045
2.381721
other
Cd2Ag1Rh1
4
225
69.76
mp-1184074
-8.867968
-5.297184
6.395473
other
Dy1Tm1Ru2
4
225
75.6
mp-866007
-7.291955
-7.38571
5.03777
other
Dy1Mg1Tl2
4
225
103.67
mp-1185318
-7.781435
-2.427717
4.304354
original
Li1Ge2Ir1
4
225
56.47
mp-1187928
-7.577957
-6.634377
3.790276
other
Yb2Zn1Ag1
4
225
96.64
mp-866229
-6.32198
-7.099682
3.051424
other
Ca2Sn1Hg1
4
225
112.22
mp-1187505
-7.951013
-7.780391
3.61774
other
Yb1Y1Hg2
4
225
103.65
mp-1187201
-5.98055
-1.827616
3.950486
other
Ta2V1Re1
4
225
64.31
mp-862938
-8.096145
-8.005927
3.442262
other
Pm1Mg1Hg2
4
225
94.95
mp-1219071
-3.543383
1.802862
3.005324
other
Sm1Eu1B12
14
225
141.01
mp-37153
8.122622
1.969049
-0.510125
other
Ag1As1F6
8
225
143.55
mp-541852
-7.461272
0.310896
3.5106
other
Co21Re2B6
29
225
279.75
mp-867475
-7.535259
-1.747841
4.329781
other
Ta1Sn1Ru2
4
225
64.46
mp-1187417
-5.899514
-2.17123
3.804603
other
Ti2Mo1Pd1
4
225
61.75
mp-867753
-7.424555
-2.585475
2.171687
other
Cu1Sb1Rh2
4
225
58.54
mp-1110694
1.236031
2.389979
-5.925723
other
Rb3Er1Cl6
10
225
375.64
mp-1186562
-8.394079
-6.937343
5.368024
other
Pm1Er1Zn2
4
225
91.63
mp-1184244
-7.132661
-2.699004
1.735815
other
Er1Sb1Rh2
4
225
73.11
mp-977356
-8.004338
-2.305646
3.847207
other
Zn1Ga1Ir2
4
225
54.66
mp-866119
-8.982639
-5.544911
6.152725
other
Tm2Ru1Pt1
4
225
76.68
mp-1187435
-9.000585
-6.319485
2.711284
other
Th1Zn1Au2
4
225
85.55
mp-1187889
-6.839822
-6.250842
5.47453
other
Yb1Ce2In1
4
225
115.44
mp-867751
-6.203142
-6.95912
3.22044
other
Ca2Ag1Sn1
4
225
106.34
mp-1185254
-6.263753
-7.011215
4.041874
other
Li1Yb2In1
4
225
112.96
mp-1079026
1.739066
2.44584
-3.65103
other
Tc1Br6O2
9
225
246.32
mp-1193241
-7.959894
-4.227884
4.566751
other
Hf6Al16Pd7
29
225
465.58
mp-978538
-8.453334
-4.962304
2.696237
other
Sm1Sn1Pd2
4
225
80
mp-867748
-7.607762
-2.108781
4.178383
other
Sc1Sn1Ru2
4
225
65.29