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-1212220
13.93539
7.614187
-5.172955
other
La2P6H6W2O18
34
2
490.87
mp-849374
13.594817
6.172973
-6.563516
other
Li10Mg12Fe1P12O48
83
2
872.65
mp-1178764
6.497479
4.920627
-4.576817
other
Zn1C4S4N2O12
23
2
533.97
mp-1176345
9.572486
3.802865
-8.5146
other
Na10Fe4P4C4O28
50
2
629.25
mp-1197314
7.804881
0.187465
-4.496354
other
Si12Bi4H108C40Cl8
172
2
2,211.54
mp-818167
7.224819
4.498956
-1.454604
other
Li2Mn2P2O8F2
16
2
182.24
mp-1203912
8.774615
1.24811
-4.406373
other
P4H56C16N4O16
96
2
904.16
mp-1520138
6.239568
8.519097
0.031584
other
Ba2Nd2Eu2Bi2O12
20
2
340.52
mp-755319
15.54381
5.927814
-2.161853
other
Li4Mn2Fe2B4O12
24
2
252.65
mp-1198097
10.458277
3.693815
-4.06845
other
Sr2Sn1H18Se4O12
37
2
415.67
mp-1210880
10.94937
4.208014
-3.96522
other
Na2Ca2B10H42O24
80
2
741.02
mp-1191835
9.889141
4.476751
-4.334608
other
Cu1H10Se2N2O10
25
2
287.08
mp-1222637
13.704979
5.084094
-2.102074
other
Mg20Ti2Sn2B8O40
72
2
721.73
mp-698414
8.339526
0.737085
-4.547083
other
Cu4H32C8N4Cl12
60
2
742.09
mp-729119
10.264737
4.740153
-4.414577
other
Li2V10H36N4O38
90
2
851.87
mp-728793
8.335925
2.651088
-4.738751
other
Mn2H60C16N52O36
166
2
1,607
mp-780796
10.932695
4.682584
-4.924288
other
Li4Mn4P4H24O30
66
2
661.14
mp-707772
10.771712
3.545884
-4.440401
other
Te2P4H32N4O26
68
2
682.07
mp-1190435
10.233521
5.278696
-6.180681
other
Nd2Cu1Te2S2O14
21
2
293.59
mp-1190393
10.320744
5.186893
-6.391385
other
Dy2Cu1Te2S2O14
21
2
289.79
mp-1177405
12.27161
5.087749
-5.310314
other
Li4Fe1P6H12O24
47
2
515.19
mp-1046151
13.90801
6.671855
-5.542429
other
Sr2Mg2Sn2P4O16
26
2
363.78
mp-1193145
9.309289
2.972559
-4.482869
other
Fe1H12C4S4O6
27
2
348.09
mp-680183
8.176922
2.298567
-1.132659
other
Te20As8Br16O20F104
168
2
3,100.25
mp-939375
7.475974
4.876501
-1.604466
other
Li2Cu2P2O8F2
16
2
177.62
mp-1049199
9.671478
6.089743
-5.691573
other
K2Er2P8H8O36
56
2
824.08
mp-25410
11.544548
7.94253
-8.143945
other
Li2Mn2P2O8F2
16
2
181.72
mp-654906
4.697545
0.291092
-2.575779
other
Mn2H42C14S6N2
66
2
742.5
mp-1366914
7.614457
5.170434
-1.814965
other
Sr2Mn2Zn2P4O16
26
2
331.68
mp-733871
12.449154
5.96244
-6.916189
other
Ca2Mg10P6C2O32
52
2
598.2
mp-775205
13.694214
7.088608
-6.94888
other
Li12Mn4P8H4O32
60
2
602.82
mp-2229785
11.098601
11.311728
-2.077495
other
K6Mg1V2S2O6
17
2
381.33
mp-753859
14.278252
7.35095
-6.326441
other
Li3Cr2P4H1O14
24
2
294.87
mp-1225164
8.502901
8.279198
-4.113032
other
Fe2Cu2Bi4As4O24
36
2
497.23
mp-1235262
1.368873
2.480127
-4.488008
other
Li1Nb2Te4Cl10O1
18
2
583.87
mp-504975
11.473229
4.244171
-4.609438
other
Mn1Al2P2H18O18
41
2
349.36
mp-1196928
11.895545
4.783444
-5.028834
other
Mg2Zr2P4H16O24
48
2
491.54
mp-693689
10.615705
8.356327
-3.274943
other
Na2Ni4Mo4H5O20
35
2
435.28
mp-1520523
9.1256
9.094201
2.369244
other
Ba2Sr2Tb2Sb2O12
20
2
301.58
mp-1046402
14.023915
6.821716
-6.284145
other
Sr4Mn4Zn4P8O32
52
2
662.38
mp-1199499
12.972379
4.331764
-2.726681
other
K8Ba4B28H32O66
138
2
1,478.78
mp-1522506
6.195083
8.558258
-0.024023
other
Ba2Eu2Y2Bi2O12
20
2
325.44
mp-1520732
5.973894
8.613352
-0.143817
other
Sr2Ca2Gd2Bi2O12
20
2
302.39
mp-1020646
13.038236
5.633219
-6.500121
other
Na2Li4B2P4O16
28
2
306.16
mp-852069
7.673123
5.322846
-2.264064
other
Li2Sn2P2H2O10
18
2
219.62
mp-1193607
5.289976
3.077016
-3.535043
other
Cs2Ca2H4N18O2
28
2
445.99
mp-554838
8.854845
6.93197
-4.503462
other
Rb4Cr4Cd2H8O20
38
2
556.93
mp-1197778
8.957959
3.074078
-5.573217
other
Nd4H24C14N4O34
80
2
846.31
mp-768580
11.764828
8.702047
-8.143462
other
Li4Mn2V2P6O24
38
2
460.95
mp-1227799
12.607484
6.392155
-0.474924
other
Ca2Zr1Ti1Si2O10
16
2
201.29
mp-1182935
11.614775
4.885945
-5.042908
other
Al6Cu1P4H16O28
55
2
545.26
mp-1046155
12.514297
6.515864
-6.548238
other
Sr2Zn2Cu2P4O16
26
2
318.9
mp-721347
11.80399
4.670107
-4.832131
other
Ca2P2H8O10F2
24
2
259.35
mp-1516338
10.494852
11.482819
1.83512
other
Eu2Mn2Nb2Sn2O12
20
2
269.07
mp-777408
10.388131
8.904507
-7.209496
other
V2Fe2P4O16F4
28
2
352.56
mp-1208124
-3.572082
-1.299202
-5.468136
other
Tl2Cu2As4Pb2S10
20
2
487.3
mp-755618
12.842904
6.297593
-6.114942
other
Li1V1P4H4O14
24
2
279.64
mp-1208389
10.946795
4.462363
-4.411486
other
U2Ni1As2H24O24
53
2
576.71
mp-1519309
9.716326
9.667095
3.562329
other
Ba2Sr2Pr2Nb2O12
20
2
321.17
mp-554419
9.351113
7.032187
-3.521438
other
Gd4Cu4Se8Cl4O24
44
2
705.89
mp-758348
11.509411
5.615682
-3.550848
other
Li2Mn6Al4H12O24
48
2
424.52
mp-1196105
9.440399
2.050434
-4.321267
other
H58Pd6S6N18O20
108
2
1,012.12
mp-775239
15.40446
5.680674
-2.26945
other
Li8Mn6Fe2B8O24
48
2
511.68
mp-2227262
12.440979
10.947418
-1.423091
other
Mg1V2Te2O7F2
14
2
191.44
mp-1099855
6.784809
11.876577
1.592101
other
Sr6Ca2Ti2Mn6O24
40
28
467.32
mp-1076688
5.78714
11.591352
-0.073105
other
Sr6Ca2Co6Cu2O24
40
28
460.76
mp-603940
8.116583
0.652632
-4.502813
other
Fe2H24C8N2Cl8
44
28
648.21
mp-1076338
11.630116
10.641948
1.198839
other
La6Sm2V6Cr2O24
40
28
490.47
mp-1099703
8.173565
11.396771
2.349221
other
Sr6Ca2Ti6Mn2O24
40
28
479.56
mp-561100
11.495899
12.232742
-3.3009
other
Cs2Mn4V4Cl2O14
26
28
464.54
mp-1278576
7.310511
11.685827
1.855171
other
Sr4Ca4Ti4Mn4O24
40
28
462.65
mp-1182519
10.001198
1.960453
-3.081801
other
Mn8Fe8H32N8F48
104
30
1,131.65
mp-705039
4.295647
2.330265
-3.315979
other
K12Cr4C20N24O4
64
30
1,269.02
mp-1202263
13.650575
4.25967
-2.465864
other
Li8Ca2B20H8O40
78
30
711.68
mp-1191264
7.939334
10.38054
1.36222
other
Sr4Fe2Cu2Pb4O12
24
30
386.27
mp-1181416
9.931889
2.025138
-2.914419
other
Mn8Fe8H32N8F48
104
30
1,145.58
mp-1203210
8.522452
1.033326
-4.111137
other
Zn4Te4H48Se12N16
84
29
1,238.85
mp-849372
14.092528
7.840707
-6.819582
other
Li4V4P12H4O40
64
29
935.32
mp-560102
10.789989
4.735671
-6.877175
other
Rb12U12S12O72F12
120
29
2,111.3
mp-699450
9.960267
3.624734
-5.188243
other
Li8H16S8N8O24
64
29
756.26
mp-706611
9.804584
1.816287
-3.503197
other
Li4Be4H16N4F16
44
29
441.9
mp-1200370
7.349785
0.29333
-4.036486
other
Mg4B24H112C16O8
164
29
1,792.29
mp-780206
12.977217
5.848932
-5.505625
other
Li8Fe8P8H16O40
80
29
885.86
mp-779915
14.460833
7.847954
-4.631017
other
Li8V8P8H16O40
80
29
912.09
mp-733853
7.625282
6.538934
-3.02026
other
K8H4I8Cl4O24
48
29
889.25
mp-780670
13.104012
6.063198
-5.730403
other
Li8Cr8P8H16O40
80
29
905.22
mp-1198997
6.005752
3.383428
-3.843863
other
C16S8N8O8F8
48
29
976.09
mp-759682
11.114086
7.924112
-7.571419
other
Li12Co8P8O32F8
68
29
760.02
mp-779907
12.655273
5.426102
-5.673343
other
Li8Mn8P8H16O40
80
29
899.96
mp-703308
12.988621
6.08356
-6.701009
other
Cs4Ga4P12H4O40
64
29
916.73
mp-1194614
8.133445
0.514494
-4.460477
other
Fe4H80C32N4Cl16
136
29
1,475.59
mp-1199601
8.008618
5.937614
-3.982908
other
K12Mo8H4C4O52
80
29
1,210.33
mp-731924
10.840248
4.273339
-4.589078
other
V4P4H20N4O24
56
29
609.2
mp-1203791
7.872214
0.405964
-4.314705
other
B8P4H80C20N4
116
29
1,254.58
mp-703550
12.293509
5.150697
-5.545635
other
Li8Zn8P8H16O40
80
29
862.08
mp-1211621
12.712962
6.235309
-6.563403
other
Li8Zn8P16H8O56
96
29
1,128.34
mp-1194952
12.661272
6.552573
-0.558936
other
Ba8In8Si12S4O40
72
29
1,122.21
mp-758824
12.70018
5.436849
-5.672987
other
Li8Mn8P8H16O40
80
29
911.92
mp-1201121
8.020725
6.460054
-4.40013
other
Cu4Te4Pb12C4O40
64
29
956.7
mp-729140
8.773154
5.512413
-5.431036
other
U4S4N4O24F4
40
29
687.88