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-1200530
7.45948
1.6725
-4.260842
other
Zn4H16C8N16Cl8
52
29
812.35
mp-23150
5.384545
3.396904
-4.217642
other
C4S8N4Cl4O8
28
29
640.15
mp-555092
-3.456339
-1.01156
-5.350254
other
K12W4S12Cl4O4
36
29
1,031.23
mp-1195726
7.584671
0.421734
-4.171811
other
Na4Li4B8H40N8
64
29
586.59
mp-1194832
10.36599
3.185754
-5.016006
other
Li8H32S8N8O32
88
29
847.99
mp-780431
12.915483
5.768404
-5.533915
other
Li8Fe8P8H16O40
80
29
878.31
mp-1197950
7.913384
5.953623
-3.921432
other
Rb12Mo8H4C4O52
80
29
1,320.73
mp-849312
11.748607
7.589236
-7.44337
other
Li4Mn4P12H4O40
64
29
916
mp-1198449
6.310444
3.654413
-3.653705
other
Sb4C4N8O4F12
32
29
604.33
mp-1099629
10.730711
11.905668
-3.17534
other
K2Na6V5Mo3O24
40
3
465.06
mp-1216150
12.777483
5.638917
-3.105945
other
Y1Fe6Bi1B8O24
40
3
413.74
mp-697306
7.23522
11.961092
2.00616
other
K1Sr3La8Mn12O36
60
3
721.15
mp-703320
11.191637
11.006357
0.473196
other
Sr16Fe6Co2Mo8O45
77
3
1,046.86
mp-1221254
12.00085
7.203532
-1.836284
other
Na3Li1Fe4Si8O24
40
3
442.93
mp-1265310
11.873984
6.847757
-1.416432
other
Na8Al6Ge6N2O30
52
3
791.01
mp-1222575
12.786338
6.419185
-0.80725
other
Li4Sc1In3Si8O24
40
3
465.69
mp-1233254
9.483726
6.028279
-3.983534
other
Rb4Mg1H12Se8O24
49
3
896.99
mp-1173714
12.74369
6.140548
-0.645248
other
Na8Al6Si6N2O28
50
3
730.04
mp-1221279
12.76719
6.497261
-0.842864
other
Na3Li1Ga4Si8O24
40
3
432.15
mp-1233373
9.131639
7.373142
-1.977729
other
Mg1Tl2Pb16Br18O8
45
3
1,390.61
mp-761259
14.323305
8.517707
-7.266566
other
Li12Mn2V6P12O48
80
3
931.82
mp-1266279
7.929107
10.526987
1.331779
other
Ba2Al1Tl1Co2O7
13
3
198.12
mp-775186
12.562023
6.776639
-0.905532
other
Li8Sc5Fe3Si16O48
80
3
896.16
mp-720111
11.888812
6.478345
-1.900196
other
Na8Al6Si6Cl2O32
54
3
772.77
mp-1173868
12.988419
6.460557
-0.80402
other
Na12Mg5Al2Si29O72
120
3
1,261.86
mp-1565615
13.023215
7.0297
-1.128661
other
Na2Ca2Fe4Si8O24
40
3
458.14
mp-1221157
12.98982
6.424588
-0.44055
other
Na4Sc3In1Si8O24
40
3
474.55
mp-1198906
10.501062
11.072604
-2.876941
other
V12Co18Te6Pb18O84
138
3
2,104.76
mp-1233262
11.976642
11.40414
2.0648
other
Mg1Ta4Mn4Nb4O24
37
3
455.52
mp-1227614
12.709766
6.487018
-0.656587
other
Ca4Mg3Si8Ni1O24
40
3
456.59
mp-1227711
12.707088
6.87692
-1.235027
other
Ca4Co1Si8Ni3O24
40
3
454.46
mp-1234341
11.964114
11.407727
2.06479
other
Mg1Ta4Mn4Nb4O24
37
3
452.02
mp-600181
8.476086
0.865888
-4.431771
other
Lu2H48C8N8Cl14
80
3
1,013.63
mp-1221226
12.651096
6.727789
-0.87436
other
Na4Al3Fe1Si8O24
40
3
423.59
mp-1076264
6.103138
11.102233
-0.057025
other
Ba2Sr6Co3Cu5O24
40
3
484.81
mp-667381
8.69662
3.483511
-7.11908
other
Ba12Ce8C20O60F8
108
3
1,571.93
mp-1076457
5.381149
11.163153
-0.687062
other
Sr6Ca2Fe5Co3O24
40
3
465.82
mp-677474
12.039675
6.984241
-1.34398
other
Na8Al6Ge6N2O30
52
3
789.22
mp-1234580
9.41358
6.214899
-3.888825
other
Rb4Mg1H12Se8O24
49
3
886.55
mp-1227136
13.639541
7.393161
-0.862064
other
Ca4Zn1Fe3Si8O24
40
3
447.91
mp-1220832
12.022148
7.22685
-1.838582
other
Na1Li3Fe4Si8O24
40
3
435.95
mp-1076429
5.949301
11.281157
-0.060884
other
Ba2Sr6Co5Cu3O24
40
3
484.38
mp-735586
9.255948
6.971128
-3.61612
other
K2Fe4H2Se8O24
40
3
587.4
mp-1216022
13.825226
4.589002
-1.939202
other
Y1Er1Al6B8O24
40
3
367.7
mp-2231165
11.715562
10.090548
-2.249991
other
Mg1Cd2Te2Mo2O12
19
3
300.01
mp-695202
12.926268
6.338652
-0.430875
other
Mg4Al9Cu1Si9O36
59
3
800.89
mp-2230560
12.08699
10.379286
-1.912947
other
Mg1Mn2Te2Mo2O12
19
3
286.92
mp-761156
10.01015
11.029134
3.240457
other
Li3La5Ti6Nb2O26
42
3
521.71
mp-1094109
9.621956
12.267338
-0.30851
other
Na6Mn1Ni3Sb2O12
24
3
275.31
mp-1218286
8.208613
11.54403
2.12518
other
Sr1La3Mn2Cr2O12
20
3
241.91
mp-1199741
11.817766
6.954467
-4.382162
other
Zn18Te6P12Pb18O84
138
3
1,992.18
mp-1076805
5.484557
11.391203
-0.405491
other
Sr6Ca2Fe3Co5O24
40
3
462.05
mp-1075901
5.88774
11.461435
-0.032619
other
Sr6Ca2Co5Cu3O24
40
3
461.98
mp-1248193
12.605976
6.530527
-0.677719
other
Al12Si12Ag16S5O48
93
3
1,446.5
mp-1173789
12.496885
6.250706
-1.174523
other
Na8Al6Si6H6O28
54
3
784.05
mp-694997
8.987346
0.918658
0.610392
other
K4Na2Fe1H3F12
22
3
307.92
mp-2231384
11.669752
10.432675
-2.417703
other
Mg1Co2Te2Mo2O12
19
3
276.99
mp-1221188
9.196201
7.718454
-2.563462
other
Na1Ca3Fe1Si8O24
37
3
476.66
mp-1218570
12.737371
6.508452
-0.465739
other
Sr1Ca3Mg4Si8O24
40
3
460.84
mp-2230577
11.901094
10.272153
-2.171259
other
Mg1Zn2Te2Mo2O12
19
3
279.34
mp-2227666
11.848335
11.28939
-3.324096
other
Mg1Fe2Mo2Cl2O8
15
3
264.68
mp-1077670
5.658601
11.306344
-0.163242
other
Sr6Ca2Mn3Fe5O24
40
3
470.77
mp-1173263
8.339269
9.931205
1.511877
other
Sr8Mn4Bi4Pb4O24
44
3
728.7
mp-1222629
12.273107
7.092769
-1.521678
other
Li4Sc1Fe3Si8O24
40
3
439.47
mp-1077671
5.957485
11.524627
0.354267
other
Sr6Ca2Mn5Fe3O24
40
3
469.01
mp-694964
10.889492
6.975591
-1.862888
other
Na8Mn2Al6Si6O32
54
3
782.57
mp-1189847
-3.388235
-1.138386
-5.395831
other
K6H2W2S8O2
20
31
531.12
mp-1189247
-3.439104
-1.098498
-5.219342
other
K6Mo2H2S8O2
20
31
525.32
mp-510292
10.993182
3.459264
-4.695119
other
Cu2P2H12N2O10
28
31
245.04
mp-766130
14.900189
7.776812
-5.706178
other
Li8Mn2Fe6P8O32
56
31
609.86
mp-1228355
-3.0641
-1.414382
-5.546805
other
Ba8Sn2Ge4S16Br4
34
31
1,024.77
mp-782655
11.263711
4.119266
-4.352178
other
Li2Fe2P2H24O20
50
31
457.01
mp-729848
10.398297
10.889244
-3.303143
other
Mo6P2W18N6O80
112
31
2,712.42
mp-1228968
-3.02414
-1.4682
-5.58305
other
Ba8Ge4Pb2S16Br4
34
31
1,028.4
mp-831046
12.748935
5.701925
-5.667044
other
Li4Mn4P4H8O20
40
31
454.41
mp-761246
14.842422
7.702294
-6.119243
other
Li4Mn2Fe2P4O16
28
31
307.85
mp-697560
11.158875
3.584994
-4.690939
other
Co4P4H24N4O20
56
31
487.02
mp-756078
12.818396
5.872224
-5.434777
other
Li2Fe2P2H4O10
20
31
210.97
mp-755283
9.745903
3.911127
-8.33762
other
Li12Fe4P4C4O28
52
31
575.59
mp-1214976
12.30566
9.996819
0.467751
other
Ba2U6W6Se4O28
46
31
922.64
mp-764410
10.205689
8.305508
-7.108461
other
Mn4Fe4Co4P12O48
72
31
861.14
mp-1193857
6.663232
5.206989
-4.734216
other
P2H2Pb4N4O18
30
31
438.42
mp-780882
12.696641
5.629449
-5.660731
other
Li2Mn2P2H4O10
20
31
229.36
mp-1198752
8.345802
6.176126
-5.405524
other
Cu4Pb10C2S6O42
64
31
962.64
mp-559463
11.099227
4.07671
-4.213765
other
Rb2Mg2As2H24O20
50
31
510.54
mp-1019525
13.628247
4.447944
-2.26073
other
Ba6Zn2B10P2O28
48
31
627.23
mp-1209704
13.056453
6.50925
-0.34308
other
Rb4Na4Al6Si6O24
44
31
683.86
mp-561299
-3.117248
-1.472659
-5.62063
other
As4Pb8S12I2Cl2
28
31
778.01
mp-850407
11.162075
4.065288
-4.392612
other
Li2Mn2P2H24O20
50
31
467.49
mp-1346558
8.738092
1.444097
1.324006
other
K4Na2Nb2O4F8
20
31
319.45
mp-604725
11.122433
3.95988
-4.287047
other
Rb2Mg2P2H24O20
50
31
465.19
mp-601268
10.72102
3.440795
-4.566724
other
Fe2P2H10C2O8
24
31
254.47
mp-23973
12.698796
5.558238
-5.519934
other
K4Mn4P4H8O20
40
31
481.74
mp-1215417
-4.879747
-2.012933
-5.256064
other
Zn2Cu4Ge2Se4S4
16
31
332.07
mp-721617
11.127479
3.979202
-4.291188
other
K2Mg2P2H24O20
50
31
479.51
mp-644129
12.03446
5.38551
-5.596897
other
K4Ni4P4H8O20
40
31
447.57
mp-735529
11.334473
3.780677
-4.672489
other
Fe2P2H12N2O10
28
31
248.87
mp-1228759
-4.368392
-3.045943
-3.718388
other
Ba8Ge4Pb2Se16Br4
34
31
1,121.69
mp-1214018
4.56164
2.877051
-3.707755
other
Cd2C4S4N8Cl4
22
31
508.34
mp-721161
10.785058
3.369703
-4.309114
other
Mg2P2H32N2O20
58
31
485.3