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-867804
-7.858757
-2.690537
5.10183
other
Sc1Pa1Ru2
4
225
73.74
mp-555403
9.033596
2.119413
1.636643
other
K3W1F6
10
225
184.07
mp-1187629
-8.411802
-4.210773
4.507944
other
Yb1Pa1Ir2
4
225
79.93
mp-867877
-8.417883
-6.196462
2.345766
other
Li1Cd1Au2
4
225
69.11
mp-865925
-8.06764
-2.990625
4.110723
other
Li1Zr1Ir2
4
225
61.19
mp-16320
-6.350504
-4.255503
0.974904
other
Mn1Cu2Sb1
4
225
62.36
mp-1187911
-7.806324
-1.129014
3.532159
other
Zn1Ga1Co2
4
225
45.69
mp-1184818
-8.44944
-6.948292
3.693605
other
Ho1Mg1Ag2
4
225
82.82
mp-867894
-7.483925
-6.457654
6.576213
other
Sm2Mg1Al1
4
225
105.08
mp-30555
-6.928063
-1.031216
3.527626
other
Ta1Ga1Co2
4
225
51.69
mp-865461
-7.282032
-3.426424
4.531719
other
Lu1Zr1Co2
4
225
67.6
mp-1210153
-8.156679
-0.515648
2.487945
other
Nb3Ni20B6
29
225
290.6
mp-1113631
8.772416
0.612869
1.088946
other
Rb3Cr1F6
10
225
183.25
mp-1185178
-7.518535
-6.710092
4.545281
other
La2Sn1Hg1
4
225
121.16
mp-1184974
-7.003472
-6.817034
4.545499
other
Li2Sc1In1
4
225
71.87
mp-866060
-7.898312
-6.943087
4.058159
other
Ca1Pr1Ag2
4
225
103.03
mp-866196
-6.680564
-6.876696
4.547133
other
Li2Pr1In1
4
225
86.74
mp-1184442
-8.469065
-5.28055
5.481798
other
Eu1Gd1Rh2
4
225
85.86
mp-1187865
-8.854127
-5.405548
6.466798
other
Y1Tm1Ru2
4
225
76.12
mp-863258
-4.88409
-5.883586
0.936951
other
Sr2As1Au1
4
225
112.96
mp-1186655
-8.968739
-5.683498
6.630913
other
Pm1Tm1Ru2
4
225
78.73
mp-983480
-7.815089
-3.392391
5.327095
other
Hf6Al16Rh7
29
225
454.49
mp-861950
-5.406868
-5.892973
0.935202
other
Ca2Sb1Au1
4
225
105.61
mp-865297
-8.418633
-6.69699
5.585952
other
Ho2In1Ag1
4
225
99.17
mp-1184572
-8.149292
-3.828932
3.05955
other
Hf1Mg1Pt2
4
225
67.67
mp-1186586
-8.976342
-5.622066
6.609147
other
Pm1Ho1Ru2
4
225
79.88
mp-866018
-6.816873
-7.393648
5.014511
other
Ac2Zn1Ge1
4
225
117.92
mp-1183344
-5.058261
-7.462667
3.773759
other
Ba1Sr1Eu2
4
225
202.01
mp-866274
-8.086248
-7.770463
3.420683
other
Ce1Cd1Hg2
4
225
98.15
mp-978527
-7.617481
-7.428534
5.566884
other
Sm1Dy1Tl2
4
225
110.27
mp-5124
-6.801074
-1.95269
1.379563
other
Mn1Ni2Sb1
4
225
55.45
mp-1185326
-8.395074
-6.282374
6.372946
other
Li1Dy2Pt1
4
225
86.8
mp-1183887
-5.923278
-6.181307
1.152218
other
Eu2Bi1Au1
4
225
118.93
mp-972510
-8.918498
-5.487324
6.172225
other
Sm1Tm1Rh2
4
225
80.08
mp-1183638
-7.658446
-7.007355
5.004353
other
Ca1Gd1Zn2
4
225
94.04
mp-1111694
8.92944
0.367421
0.873901
other
K3Mn1F6
10
225
177.19
mp-1186433
-7.976315
-7.470467
5.669459
other
Pm2Ag1Hg1
4
225
105.42
mp-867840
-7.727591
-1.728443
3.461593
other
Be1Fe1Rh2
4
225
48.37
mp-1194423
-7.384191
-2.766991
5.535848
other
Zr6Al16Co7
29
225
436.46
mp-865234
-7.265218
-1.712186
4.240286
other
Ta1Zn1Ru2
4
225
58.2
mp-1185364
-7.803949
-6.7555
2.506162
other
Li1Mg1Ag2
4
225
67.03
mp-973443
-6.060066
-1.829971
4.172495
other
Hf2Re1Tc1
4
225
69.96
mp-1182179
6.855697
8.549818
-2.668786
other
Ca1Sn1O6
8
225
170.52
mp-30586
-9.172993
-5.010232
4.390729
other
Ho1In1Cu2
4
225
70.37
mp-1205794
1.198122
2.348201
-5.903009
other
Rb3Ho1Cl6
10
225
378.32
mp-29398
-1.396906
2.593919
-2.403532
other
Cs2Hf1I6
9
225
410.29
mp-864990
-6.316297
-0.784062
3.96227
other
Mn2Al1W1
4
225
50.3
mp-862921
-8.554179
-3.138345
3.798599
other
Pm1In1Rh2
4
225
75.21
mp-973887
-8.088161
-7.642335
4.399746
other
La1Pr1Hg2
4
225
115.74
mp-978563
-8.047279
-6.589714
5.816167
other
Sm1Ho1In2
4
225
107.18
mp-1232424
-7.811331
-8.703594
6.785202
other
Pm1Gd1Mg2
4
225
114.74
mp-865340
-8.801829
-6.427994
6.883665
other
Tm2Hg1Os1
4
225
84.1
mp-1186577
-8.492419
-5.256245
5.369067
other
Pm1Eu1Rh2
4
225
86.73
mp-27635
-1.273609
2.993971
-2.920582
other
Rb2Sn1I6
9
225
400.28
mp-981541
-8.966449
-5.295441
5.97671
other
Tm1Lu1Rh2
4
225
74.33
mp-1187726
-7.767378
-2.245548
4.820652
other
Th1In1Ru2
4
225
76.9
mp-1183174
-7.808285
-7.332692
4.285707
other
Ac1Zn2Cd1
4
225
94.63
mp-862374
-8.434604
-4.982862
2.288333
other
Cd1In1Pd2
4
225
69.06
mp-4813
-7.657521
-1.92488
2.915219
other
Nb1Al1Ni2
4
225
52.96
mp-974063
-8.247328
-3.671946
5.129525
other
Ho1Sc1Ru2
4
225
70.59
mp-971922
-7.488545
-5.876789
6.623198
other
Dy1Y1Al2
4
225
92.91
mp-1208033
7.966833
11.034343
-0.770438
other
Tl2Pt6O8
16
225
228.34
mp-1185518
-7.881861
-2.735072
4.972574
original
Lu1Np1Ru2
4
225
74.44
mp-631498
-7.026554
-4.691967
5.057752
other
Ba1Mg1Os2
4
225
79.9
mp-862431
-8.371548
-4.689666
4.964736
other
Sc2Ag1Os1
4
225
71.41
mp-864608
-8.324471
-2.892028
3.727946
other
Np1Ga1Rh2
4
225
67.84
mp-866131
-7.967824
-7.049986
5.542848
other
Lu2Tl1Ag1
4
225
94.23
mp-865812
-8.145401
-8.185674
3.386012
other
Li1Sm1Hg2
4
225
91.66
mp-999002
-6.707376
-0.48989
2.976789
other
Ti1Fe2As1
4
225
48.58
mp-980661
-8.230966
-7.345998
3.440957
other
Y1Tl1Ag2
4
225
85.92
mp-5491
-8.579021
-5.439005
2.523264
other
Mn1Al1Au2
4
225
64.44
mp-1185923
-8.515309
-4.90931
2.019625
other
Mg1Pd2Au1
4
225
64.03
mp-979429
-8.149749
-6.932811
5.370959
other
Y1Ho1Cd2
4
225
102.9
mp-1208277
-6.888367
-1.195416
5.767716
other
Ti6Al16Fe7
29
225
415.99
mp-1114107
1.184643
2.409435
-5.881892
other
Rb3Eu1Cl6
10
225
393.11
mp-977539
-8.108162
-6.45506
6.832902
other
Li1Nd2Ru1
4
225
91.32
mp-1208329
-5.239003
-2.797932
3.892234
other
Ti20Co3B6
29
225
410.55
mp-862290
-8.417703
-2.086335
3.508943
other
Li1Fe1Rh2
4
225
50.94
mp-865745
-8.180367
-8.123298
3.190026
other
Gd1Cd1Hg2
4
225
93.11
mp-865422
-8.69511
-4.290426
4.749419
other
Yb1Tm1Rh2
4
225
75.53
mp-11293
-8.903106
-4.976612
4.188889
other
Zr1Cd1Cu2
4
225
64.19
mp-865380
-8.715075
-5.548447
5.449247
other
Tm2Pd1Pt1
4
225
80.69
mp-971985
-9.137351
-4.532995
4.546643
other
Tb1Al1Cu2
4
225
66.12
mp-1210236
-7.473847
1.037226
4.386306
other
Nd2Fe21B6
29
225
323.08
mp-1110578
9.374392
2.181661
1.835722
other
Li3Nb1F6
10
225
132.43
mp-865930
-8.982532
-4.35747
4.118214
other
Ti1Zn1Cu2
4
225
52.26
mp-1212443
-5.619314
-1.58175
4.604258
other
Hf6Be15Pd8
29
225
365.63
mp-865861
-8.962457
-6.219222
3.000742
other
Lu1Mg1Au2
4
225
77.95
mp-1113231
1.454291
2.694166
-5.960293
other
Cs3Ga1Cl6
10
225
363.39
mp-1114153
-1.183208
3.047083
-2.92932
other
Rb3In1I6
10
225
526.36
mp-865384
-9.062154
-5.90138
6.567925
other
Tm2Pd1Ru1
4
225
77.02
mp-864796
-7.63887
-7.632831
2.425211
other
Eu1Cd1Hg2
4
225
100.14
mp-13396
-8.141367
-5.048291
3.622868
other
Li1In2Rh1
4
225
67.77
mp-1185419
-6.832868
-3.39825
3.519405
other
Li1Si1Pt2
4
225
51.87
mp-1184966
-7.6208
-5.883351
3.089025
other
Li2Cd1Pt1
4
225
57.94
mp-863727
-8.183277
-2.699392
3.856056
other
Li1Ti1Rh2
4
225
53.49
mp-1183747
-7.409229
-6.219119
4.135537
other
Ce2Sn1Hg1
4
225
114.67
mp-865622
-6.822037
-6.87123
4.729457
original
Li2Ho1In1
4
225
78.32
mp-30450
-6.41079
-5.125824
0.737392
other
Mn6Cu8Bi8
22
225
438.37
mp-3539
-7.677795
-1.913863
2.916625
other
Nb1Ga1Ni2
4
225
52.59