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-704577
13.649775
4.420916
-2.536477
other
Na4Co4B24O42
74
15
759.62
mp-1226168
10.279859
10.797831
-3.626887
other
Eu4Mo4W2O24
34
15
511.4
mp-1181219
11.327008
11.031393
-3.8931
other
K12Fe4Mo16O60
92
15
1,602.48
mp-560493
-3.866496
-1.282959
-5.533007
other
Ba4V2Cu6S12
24
15
534.46
mp-1213160
9.602501
11.089277
-2.774431
other
Cs2Yb2W4O16
24
15
350.93
mp-1045800
14.575949
7.75856
-5.786319
other
Ca2V2P8O24
36
15
496.78
mp-1192222
7.012773
6.49571
-4.421665
other
Ca2P2Br2O16
22
15
472.5
mp-1210389
11.749087
11.036483
-3.224592
other
Na6Zn4Mo6O24
40
15
576.15
mp-26141
10.641938
7.884831
-6.957727
other
Li2Ni2P8O24
36
15
443.75
mp-1211054
7.764261
4.158153
-4.674799
other
Li2H8N6O12
28
15
315.28
mp-1218797
6.826419
11.964638
1.715937
other
Sr4Nd2Mn6O18
30
15
353.51
mp-1199476
11.967367
6.853465
-1.187875
other
Na2Mg8Si12O36
58
15
732.55
mp-1104384
-3.148501
-1.134955
-5.649253
other
Cs4Mo2S4O4
14
15
430.04
mp-26279
13.071051
7.541751
-7.347478
other
Li2Cr2P8O24
36
15
437.55
mp-1101493
12.186494
9.308232
-7.559214
other
Li2V4P6O24
36
15
441.16
mp-1213295
8.062716
6.648839
-5.094708
other
Cs2In2S4O20
28
15
473.03
mp-1248487
13.17037
7.339643
-0.757931
other
Mg6Si8Sn4O28
46
15
578.86
mp-759150
13.781183
12.127684
-0.187015
other
Li4V4O4F8
20
15
230.84
mp-17561
11.364105
12.050186
1.85981
other
Mn2Nb4Zn4O16
26
15
313.27
mp-757053
14.391948
7.793417
-5.230392
other
Li2Nb2P8O24
36
15
447.73
mp-1046533
9.310661
10.877772
-1.286874
other
Ca8Cu10Te6O36
60
15
782.25
mp-6050
4.767209
2.835123
-3.717839
other
Ag4C4S4N4
16
15
326.01
mp-1306845
9.342038
14.093239
-0.862673
other
Li4Mn6Te2O16
28
15
332.16
mp-1213654
11.534042
4.917999
-4.661747
other
Fe12P8H46O42
108
15
1,164.06
mp-1209627
12.069005
7.859997
-6.40538
other
Rb8Mo4P8O36
56
15
971.21
mp-1194510
12.719635
6.44584
-0.463823
other
Al8Si8Pb4O32
52
15
734.88
mp-1202302
8.932146
3.558288
-5.669447
other
Ba2H12C8O20
42
15
452.2
mp-1214928
12.310268
6.359473
-6.626421
other
Al8P8N4O32
52
15
761.86
mp-765552
6.347733
19.275986
-0.752341
other
Li4Mn2Co2O8
16
15
149.99
mp-556821
9.403565
5.232241
-6.725713
other
Rb2Eu2S4O16
24
15
360.7
mp-1192105
13.659426
5.384161
-6.401984
other
Ba2Th2P4O16
24
15
335.3
mp-1208664
7.461244
6.513699
-2.944207
other
Sr2H2I4O12
20
15
338.33
mp-669318
1.022406
1.762401
-5.315876
other
Eu10Si2Cl12O8
32
15
671.08
mp-17519
14.556627
8.399239
-6.509608
other
Ba2V4P8O28
42
15
558.26
mp-696441
8.777103
6.663266
-4.546007
other
Li4Cr4H8O18
34
15
385.11
mp-760251
12.310937
6.592887
-6.811487
other
Na4Cu2P4O14
24
15
356.04
mp-24370
8.530622
4.003129
-4.162316
other
H20N8Cl4O16
48
15
473.13
mp-1193153
7.629518
9.103624
-3.608907
other
Na2Al2Cr4O20
28
15
395.56
mp-26257
13.609448
7.320802
-7.365252
other
Li4Mn2P4O14
24
15
321.44
mp-759225
14.790255
7.999658
-5.10477
other
Li8Cr16P16O60
100
15
1,391.81
mp-1020181
13.803869
4.201787
-2.299196
other
Na4Zn2B12O22
40
15
439.04
mp-23690
10.544274
4.172105
-5.24214
other
Ca2H8S2O12
24
15
254.17
mp-1044655
13.94329
8.639438
-2.429199
other
Mg4Ti8P8O32
52
15
620.5
mp-554823
8.482021
3.515971
-6.421327
other
Na4Sn2C8O16
30
15
400.12
mp-557628
8.107929
2.312922
-1.163036
other
As4S4I8F24
40
15
819.3
mp-765979
12.360478
7.182884
-1.441877
other
Li8Si6Ni4O20
38
15
410.61
mp-1046246
11.474681
11.025836
2.50526
other
Ca4Ta4Fe2O16
26
15
335.71
mp-1280578
12.652408
13.056555
-1.8029
other
Li8V4O8F8
28
15
294.38
mp-560767
10.735344
10.907324
2.382086
other
K2Na2Ti2O6
12
15
177.68
mp-1309214
8.509604
15.003668
-0.769606
other
Li4Mn6Ga2O16
28
15
292.55
mp-643066
10.364633
4.392298
-5.659856
other
Zn2H4S2O10
18
15
184.9
mp-863377
14.039077
6.945271
-6.004573
other
Li4Sn2P4O14
24
15
351.83
mp-696088
9.765644
2.973871
-3.962031
other
Sb4H40Cl24O18
86
15
1,285.95
mp-26131
14.222103
7.975272
-5.74704
other
Li2Mo2P8O24
36
15
451.3
mp-1045779
13.5534
7.12729
-6.936576
other
Ca2Mn2P8O24
36
15
476.43
mp-1211679
11.542071
11.192854
-3.692786
other
K2Cr2Mo4O16
24
15
387.92
mp-21978
9.24797
0.683048
1.07745
other
Na16Al8Co8F56
88
15
1,098.96
mp-1045769
9.457257
0.716732
0.042684
other
Ba4Mn4Cu2F28
38
15
575.2
mp-744239
11.496418
6.890237
-6.430188
other
Fe10P8H12O40
70
15
722.81
mp-1197148
8.349079
3.446239
-4.839169
other
H16C4N12O14
46
15
533.47
mp-1225913
10.300392
10.930021
-3.434913
other
Eu4Mo2W4O24
34
15
512.57
mp-1173949
6.238404
19.668928
-0.732172
other
Li4Mn2Co2O8
16
15
149.52
mp-1046609
9.592469
11.440203
-1.292628
other
Ca8Co10Te6O36
60
15
787.29
mp-21867
11.992287
7.184135
-1.822194
other
Na4Fe4Si8O24
40
15
446.91
mp-726681
8.312813
2.32991
-1.330202
other
K8Ti4O12F16
40
15
648.49
mp-1192207
7.12509
6.184343
-3.431947
other
Ba2H4Br4O14
24
15
373.84
mp-26965
14.289432
7.407191
-6.477351
other
Li4Cr2P4O14
24
15
300.28
mp-17979
12.882395
6.296018
-0.27472
other
Ba4Al8Si8O32
52
15
737.84
mp-684109
12.678075
6.62741
-6.370242
other
Li4Bi4P8O28
44
15
600.25
mp-1213558
11.052877
10.921682
-4.008949
other
Eu4Hf4Mo14O56
78
15
1,390.47
mp-1213310
11.02055
10.970034
-3.682298
other
Cs2Sm2Mo4O16
24
15
355.38
mp-1176609
14.43014
7.74867
-5.164736
other
Li2Nb2P8O24
36
15
473.78
mp-1200137
12.759616
4.068951
-2.860353
other
B12H16N4O20
52
15
386.06
mp-1183029
5.611455
3.438376
-3.933441
other
Ag16C48N48O32
144
15
2,127
mp-705011
10.657751
8.074927
-7.253177
other
Li4Fe4P8O28
44
15
583.77
mp-23979
9.062716
6.645335
-3.822682
other
K6H2Se4O16
28
15
465.68
mp-1201877
11.130488
5.801256
-2.957509
other
K2U4B20O48
74
15
946.25
mp-18853
10.745593
12.269968
-3.547887
other
Tl2V4Ag2O12
20
15
334.08
mp-680237
-2.474941
-0.562645
-5.336043
other
K20Th6P20S72
118
15
3,421.05
mp-540721
12.26924
4.142404
-3.233869
other
Na4B20H40O52
116
15
1,148.63
mp-1210072
9.640172
0.635572
0.4673
other
Na2Fe4Pb2F18
26
15
361.06
mp-1192480
6.235585
5.778458
-3.89282
other
Rb2Mg2Cl6O12
22
15
486.5
mp-1205386
12.986543
6.225343
-0.284484
other
Sr4Al8Si8O32
52
15
722.21
mp-1197399
12.269673
7.900298
0.604361
other
La4Ti8Al36O76
124
15
1,225.14
mp-1210448
6.39956
5.01138
-4.549637
other
Na8Ru2N12O26
48
15
629.64
mp-542935
11.881277
5.632014
-5.522659
other
Co10P8H20O40
78
15
733.3
mp-558153
8.632588
1.680958
1.385262
other
Ba24Nb12O18F72
126
15
2,140.63
mp-1177748
10.420054
2.098992
1.020983
other
Li8V4O4F16
32
15
344.98
mp-776510
12.372847
7.100554
-7.112608
other
Li6Sb6P16O58
86
15
1,202.57
mp-1221284
9.415089
7.224136
-2.446115
other
Na4Zr2Si6O22
34
15
506.31
mp-557673
13.102725
5.767554
-6.511229
other
Rb2Be4P6O20
32
15
436.03
mp-1192658
10.286642
8.698821
-2.551339
other
Bi4Te4Se2O20
30
15
486.45
mp-1180384
-0.913694
0.934609
-3.755708
other
Nb12Tl6S2Br34
54
15
1,959.26
mp-1043445
12.386695
7.935653
-0.997627
other
Mn4Zn4Ge8O24
40
15
514.3
mp-16814
10.888229
12.223169
-3.648818
other
K2Th4V6O24
36
15
547.99
mp-696806
10.052754
3.171789
-3.767982
other
Ba2H8Br4O4
18
15
299.13
mp-1104357
-2.816559
-0.953199
-5.438169
other
K4Mo2S4O4
14
15
350.6
mp-740746
7.251277
5.857187
-3.468427
other
Na4H8Br4O20
36
15
576.19
mp-1207897
11.474382
11.090582
-3.922105
other
Y4Hf4Mo14O56
78
15
1,348.51
mp-707151
11.259298
3.853976
-3.798909
other
Na4B8H40O34
86
15
748.73