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-756221
8.47771
10.497377
0.171408
other
K8Li4Fe4O12
28
67
430.82
mp-696678
7.641259
6.95564
-4.550466
other
P2H4N2O4
12
67
168.36
mp-763317
10.657528
8.972755
-4.232534
other
Li2V2Ge2O10
16
67
198.07
mp-1224234
12.080933
7.436478
-0.431547
other
Ho4Mn2Ge8O24
38
67
503.35
mp-1216304
9.61452
7.842478
-2.264438
other
Yb4Mn2Ge8O24
38
67
486.53
mp-1227583
11.846491
7.213204
-0.141765
other
Ca2Lu4Ge8O24
38
67
505.47
mp-1227267
11.840455
7.219239
-0.131446
other
Ca2Tm4Ge8O24
38
67
512.87
mp-1205423
10.726264
12.503674
2.10477
other
Na4Li4Ti12O28
48
67
544.22
mp-1315609
10.794013
10.548255
0.988374
other
Sr10Mn2Fe8O20
40
69
575.26
mp-1297680
7.698944
10.892379
1.001448
other
Ba4Y2Ni6O14
26
69
359.69
mp-1275118
9.046646
11.170227
1.903213
other
Ba4Y2Mn6O14
26
69
380.66
mp-1320208
11.029861
10.467327
1.36773
other
Ba4Y2Cr6O14
26
69
373.33
mp-1218832
6.860358
10.135364
0.785893
other
Sr4Eu2Fe2O10
18
69
268.87
mp-1223461
5.067153
2.722955
-3.462073
other
K2C2N2O2
8
69
134.81
mp-1218642
8.886804
11.221543
1.187655
other
Sr4Y2Fe6O15
27
69
356.22
mp-1218758
9.490101
8.54987
2.345624
other
Sr4La2Ga2O10
18
69
271
mp-1104738
8.531404
1.86
-0.642489
other
Mg1Al2O2F8
13
69
165.35
mp-19397
7.65018
11.110693
-0.266855
other
Ba4Na2Ni6O12
24
69
346.42
mp-1214472
8.132991
2.016124
-0.649652
other
Ba1As2Xe5F22
30
69
607.39
mp-1275514
9.114123
11.15766
1.886624
other
Ba4Y2Mn6O14
26
69
379.55
mp-1220467
-7.281761
-0.618635
4.214842
other
Nd2Fe1Co17Si8
28
69
345.34
mp-1217249
-8.519073
-1.640822
3.095281
other
U1Cu2Si2Ni8
13
69
161.19
mp-1192672
8.215083
1.894349
-0.256
other
Ba1Nb2Xe5F22
30
69
633.63
mp-6496
7.479173
9.579031
0.705208
other
Ba4Na2Cu6O12
24
69
358
mp-1282857
7.853571
11.323208
2.073935
other
Sr4Mn2Ga2O10
18
69
250.86
mp-17380
8.009745
10.051206
0.863729
other
Ba4Ca2Pd6O12
24
69
393.39
mp-1228247
6.856074
9.94517
0.690462
other
Ba4Pr2Cu6O15
27
69
369.92
mp-1228146
7.591502
9.592779
1.431251
other
Ba4Tm2Cu6O13
25
69
361.89
mp-1319495
11.100459
11.898971
0.202944
other
Sr6Ca2V8O24
40
69
473.95
mp-1228486
-3.171337
-1.875789
-5.520699
other
Ba4Nd2Ga2S10
18
69
461.34
mp-1218651
6.577823
11.578965
1.398221
other
Sr4Mn2Ga2O11
19
69
239.59
mp-1194442
8.216063
1.988082
-0.634645
other
Ba1Ru2Xe5F22
30
69
604.05
mp-1218806
9.552416
8.462392
2.336284
other
Sr4Gd2Ga2O10
18
69
260.28
mp-1301981
7.684335
10.900034
1.002123
other
Ba4Y2Ni6O14
26
69
356.7
mp-1192150
-4.729909
-2.583639
-3.189495
other
Rb4U2Pd6Se12
24
69
695.42
mp-1190813
-4.748942
-2.551194
-3.194677
other
Cs4U2Pt6Se12
24
69
735.51
mp-1192306
-3.699201
-1.247005
-4.574205
other
K4U2Pd6S12
24
69
588.41
mp-1191335
-4.101325
-1.372865
-4.341025
other
Cs4U2Pt6S12
24
69
646.05
mp-1192260
-3.810824
-1.261504
-4.529616
other
Rb4U2Pd6S12
24
69
618.73
mp-1191426
-4.723665
-2.514284
-3.157142
other
Rb4U2Pt6Se12
24
69
696.62
mp-1191887
-4.694429
-2.632862
-3.27586
other
Cs4U2Pd6Se12
24
69
720.71
mp-18713
7.415355
9.712353
0.759387
other
Ba4Li2Cu6O12
24
69
343.09
mp-1292799
6.031094
10.274986
0.077999
other
Sr8Fe4Sn4O24
40
69
523.17
mp-556539
8.1584
1.987602
-0.500434
other
Ba1Sb2Xe5F22
30
69
623.83
mp-1228084
8.614663
9.068443
2.528866
other
Ba4Sc2Cu2O9
17
69
275.29
mp-1191149
-3.973396
-1.395262
-4.316541
other
Rb4U2Pt6S12
24
69
608.5
mp-1192271
-3.827028
-1.266285
-4.538448
other
Cs4U2Pd6S12
24
69
663.37
mp-1228239
7.599014
9.479726
1.37694
other
Ba4La2Cu6O13
25
69
377.57
mp-1228151
7.536616
9.554255
1.397881
other
Ba4Y2Cu6O13
25
69
365.62
mp-1274766
6.025543
10.214682
0.039325
other
Sr8Fe4Sn4O24
40
69
529.22
mp-1981564
10.725976
12.503521
2.10441
other
Na2Li2Ti6O14
24
69
272.11
mp-1228334
7.205929
9.625609
0.835036
other
Ba4Eu2Cu6O13
25
69
370.67
mp-1228176
7.549697
9.547723
1.369346
other
Ba4Pr2Cu6O13
25
69
374
mp-1228184
7.567543
9.502246
1.362474
other
Ba4Nd2Cu6O13
25
69
373.56
mp-1218718
9.494661
8.542645
2.307179
other
Sr4Pr2Ga2O10
18
69
268.09
mp-2224218
8.56166
9.425985
0.888016
other
Sr2Mg1Ag2O4
9
69
188.09
mp-1228477
-3.164594
-1.864581
-5.506788
other
Ba4Pr2Ga2S10
18
69
465.02
mp-1190947
8.835333
2.914765
-4.290002
other
Mg1H12N6O6
25
69
249.77
mp-1227273
7.817129
9.747362
1.206154
other
Ca2Nd4Cu8O16
30
68
399.55
mp-1214602
13.110141
7.71081
-3.100653
other
Ba4P8H8O8
28
68
515.4
mp-1213128
13.415446
7.948005
-0.611085
other
Mn8Al16Si8O40
72
68
1,067.33
mp-1213240
13.230453
7.61953
-0.450836
other
Mg8Al16Si8O40
72
68
1,070.72
mp-1204710
9.423985
7.765479
-2.813457
other
Mn4Al8Si8O40
60
68
686.39
mp-642646
11.759653
4.880553
-5.217064
other
Ba2P4H8O8
22
68
320.42
mp-1215154
13.416972
8.019584
-0.619998
other
Al16Fe8Si8O40
72
68
1,062.45
mp-1198093
8.445666
8.156181
-2.772545
other
Al8Fe4Si8O40
60
68
698.03
mp-1228523
7.99043
10.814148
1.546557
other
Ba6U2Fe4O18
30
71
423.7
mp-18756
9.080132
9.220218
2.589292
other
Ba1Tm2Ni1O5
9
71
122.09
mp-1214450
11.012655
11.78377
2.951888
other
Ba1Nb6H1O16
24
71
369.19
mp-1218704
11.029338
9.909968
3.664403
other
Sr2Ta1N1O3
7
71
105.23
mp-1182096
7.055365
6.496799
-3.790164
other
K7Na1Te4O32
44
71
877.69
mp-753281
10.211086
0.720331
0.991519
other
Li24Ni4O4F24
56
71
493.24
mp-1114087
8.655224
1.575734
1.596109
other
Cs2Na1Ta1F6
10
71
185.6
mp-1219146
-7.351637
0.785212
4.495351
other
Sm1Fe10Mo2N1
14
71
182.9
mp-559151
10.312236
10.910084
3.440771
other
Ba2Sr2Ta4O14
22
71
327.09
mp-19312
8.818599
9.228524
2.470736
other
Ba1Tb2Ni1O5
9
71
127.28
mp-541429
6.872211
9.98829
0.754257
other
Ba1Eu2Co1O5
9
71
132.73
mp-1218444
7.07955
10.979459
0.440303
other
Sr6Co4Te2O18
30
71
373.75
mp-1218612
7.233625
11.311396
0.497517
other
Sr6Co4W2O18
30
71
372.67
mp-24150
10.596961
8.583068
2.789102
other
Li1Nd2H1O3
7
71
82.75
mp-24149
11.742613
9.06494
2.356324
original
Li1Ce2H1O3
7
71
82.38
mp-2219645
11.77151
9.669044
2.181586
other
Sr3Mg1Ti2O7
13
71
198.66
mp-556239
-0.892257
1.086592
-4.521113
other
Cs5Nb2S4Br9
20
71
736.36
mp-19325
8.916675
9.448333
2.499472
other
Ba1Y2Ni1O5
9
71
126.75
mp-1225106
-7.5024
0.892753
4.668109
other
Dy1V2Fe10N1
14
71
173.24
mp-555900
1.312283
2.45121
-5.266441
other
Nb2Tl5S4Cl9
20
71
562.97
mp-2226538
-4.344526
-3.026148
1.19613
other
Mg1Nb2P2S2
7
71
132.58
mp-19101
9.176131
9.136866
2.581322
other
Ba1Er2Ni1O5
9
71
123.64
mp-504810
6.860444
10.805876
-1.301859
other
Rb2Li14Pb3O14
33
71
390.15
mp-2225315
9.24753
2.795044
1.710405
other
Mg1Nb1O1F3
6
71
75.92
mp-1228249
9.483038
10.168638
2.218815
other
Ba6Sm4W2O18
30
71
508.06
mp-555056
2.928516
2.92707
-4.163631
other
Sb1S2N1Cl6
10
71
292.15
mp-1188245
2.691583
3.131881
-4.457017
other
Nb2S4Cl9O5
20
71
503.91
mp-754845
11.235373
9.255273
3.382134
other
La3Ti2N3O4
12
71
159.92
mp-19332
8.861717
9.311741
2.45358
other
Ba1Gd2Ni1O5
9
71
130.22
mp-1189890
5.964226
3.510687
-3.568274
other
Ag2C8N2Cl4
16
71
387.33
mp-1216844
-7.391603
0.832978
4.480957
other
Tm1Fe10Mo2N1
14
71
177.16
mp-1218895
7.722525
10.874268
-0.033714
other
Sr2Co1Sb1O6
10
71
160.46
mp-19118
8.910713
9.029932
2.568426
other
Ba1Nd2Co1O5
9
71
134.82
mp-1225630
-7.404574
0.847175
4.494164
other
Er1Fe10Mo2N1
14
71
177.65