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-542719
13.764278
4.204061
-2.17407
other
Na12Ca4B20O40
76
2
858.92
mp-558680
13.773552
4.326678
-2.089694
other
Ba4Zn2B12O24
42
2
552.32
mp-753970
12.548482
13.054646
-0.411758
other
Li4V3Cr1O8
16
2
152.35
mp-1105091
11.391383
7.538275
-3.956259
other
Co4Bi4As4O20
32
2
445.72
mp-1382260
7.796116
6.068154
-2.235507
other
Sr2U2Se4O16
24
2
412.8
mp-1273561
8.794521
14.36923
-0.345819
other
Li4Ti4Mn6O20
34
2
380.49
mp-1201690
13.623506
4.142262
-2.243798
other
Sr6B12H4O26
48
2
517.94
mp-554313
11.206809
10.667352
-2.218935
other
Nd4Te4W4O26
38
2
547.11
mp-698183
10.833667
3.719154
-4.247681
other
Mg3P2H44O30
79
2
676.86
mp-707535
8.200882
2.621458
-4.631928
other
H16C4N16O8
44
2
448.03
mp-754443
9.915161
13.936262
-0.517074
other
Li4Cr3Ni1O8
16
2
144.57
mp-1645522
12.707726
7.774073
-6.619815
other
Co4Sb4P8O32
48
2
628.44
mp-1275017
7.908336
13.547292
-0.70024
other
Li6Ti2Ni4O12
24
2
217.93
mp-1174530
4.050503
23.065996
-1.220525
other
Li14Mn4Co6O24
48
2
426.79
mp-704203
12.788938
8.330256
-7.701787
other
Li4V2P8O26
40
2
537.32
mp-801636
7.505422
4.900003
-1.70874
other
Li4Ni2P4O14
24
2
264.39
mp-734814
7.575097
5.14447
-1.921522
other
Na2Al2Si6O16
26
2
347.77
mp-17314
11.990731
8.935347
-5.567003
other
Li2Mo6P6O32
46
2
622.11
mp-1203538
7.48497
5.010266
-5.033326
other
K2Mo4C8O22
36
2
584.11
mp-2233214
11.447247
13.220178
-2.878115
other
Rb1Mg1V4O10
16
2
205.8
mp-26303
11.863275
7.33523
-7.043973
other
Li6Cu9P8O32
55
2
611.55
mp-648788
8.19552
2.271288
-1.116413
other
Te14Os2O10F64
90
2
1,653.79
mp-1309647
8.82578
13.550075
-0.800102
other
Li6Co8Sn2O16
32
2
315.47
mp-803574
8.015353
5.230265
-1.829018
other
Li8Al2Cr6O16
32
2
287.26
mp-1235025
11.618057
12.209508
-0.208763
other
Li1Ti1Fe5O8
15
2
165.8
mp-1194623
12.992775
6.24556
-0.480408
other
Rb8Th4Si24O60
96
2
1,552.46
mp-1218166
10.900889
10.871132
2.208353
other
Ta4In2Bi2O16
24
2
323.18
mp-1180556
9.372528
5.203846
-5.524488
other
Na8P8S8O28
52
2
957.87
mp-1175161
6.461348
20.222698
-0.444355
other
Li14Mn8Co2O24
48
2
431.25
mp-561940
9.600432
12.49098
-0.423165
other
Na3Co2Sb1O6
12
2
128.62
mp-24348
12.613671
6.641738
-6.617877
other
Bi2P8H2O24
36
2
483.77
mp-680277
5.762704
3.209831
-4.572574
other
Re4C18S6O16
44
2
843.52
mp-1198928
12.06712
4.997811
-5.143697
other
K4P4H8O16
32
2
393.3
mp-1184382
1.876534
2.184719
1.523156
other
Eu8B4I4N8
24
2
560.5
mp-756969
11.173898
13.628838
-0.611804
other
Li6V3Fe3O12
24
2
228.3
mp-1301636
6.273945
18.563725
-0.960377
other
Li6Mn2Co4O12
24
2
218.39
mp-559163
11.087887
7.828487
-4.489091
other
K4Fe4As8O28
44
2
663.8
mp-1175454
4.124788
22.573277
-1.310277
other
Li9Mn2Co5O16
32
2
284.03
mp-755786
7.242486
13.95074
-0.978574
other
Li5Fe3Ni2O10
20
2
174.28
mp-1103922
2.622041
3.12639
-4.299171
other
K2Mn2Cl6O4
14
2
344.4
mp-752532
8.427576
3.88246
-7.132442
other
Li2V4C8O24
38
2
401.84
mp-1203284
7.887283
7.260393
-4.160917
other
Na4Mo4As6O32
46
2
781.77
mp-556847
7.877385
6.938955
-3.216745
other
Rb2V2I4O16
24
2
418.33
mp-1175576
4.011271
22.796335
-1.318288
other
Li9Mn2Co5O16
32
2
286.76
mp-1368231
7.974864
5.36799
-1.631903
other
Li5Fe3Sb2O10
20
2
211.3
mp-759938
12.111028
7.343685
-7.127673
other
Li4Cu6P8O28
46
2
512.36
mp-781682
13.361317
5.498833
-2.95845
other
Li2Mn6B6O18
32
2
372.95
mp-1355684
7.680573
5.258861
-2.020017
other
Y1Cu3W6O24
34
2
460.78
mp-1194805
8.475389
2.225127
-1.305347
other
Sb4H6N2F22
34
2
446.36
mp-1276293
11.197335
10.186477
2.449331
other
La8Ti4Cr4O24
40
2
505.72
mp-753358
9.941687
5.098739
-4.110867
other
Co1Re2H8O12
23
2
290.08
mp-1175421
4.197811
22.486099
-1.300059
other
Li9Mn2Co5O16
32
2
282.34
mp-761952
13.494264
7.094194
-6.888636
other
Li10Sb2P8O28
48
2
551.01
mp-561462
12.421569
6.473077
0.036446
other
Ba4Nd4Si8O26
42
2
594.13
mp-1205460
-0.853138
0.819697
-4.862723
other
Zn2Hg6Se6Br4
18
2
627.2
mp-1348408
9.389121
2.078267
-0.037653
other
Li4Co7O2F14
27
2
323.99
mp-1177450
14.413868
7.557098
-6.421304
other
Li4Cr1P2O8
15
2
159.02
mp-558625
13.939066
5.1546
-7.197554
other
Sr2Zr2P4O16
24
2
325.19
mp-1200496
8.891463
5.515069
-1.973505
other
Ba12B4Br12O12
40
2
1,032.52
mp-734958
-0.609227
2.572119
-3.375875
other
K8Pt4I16O8
36
2
1,233.1
mp-554413
11.697225
10.518587
-2.543264
other
V2Te2O7F2
13
2
183.33
mp-615529
5.681231
3.338513
-4.67784
other
Os4Pt2C20O20
46
2
805.63
mp-557876
10.745976
10.989972
-2.318754
other
V2Cu3Bi4O14
23
2
317.07
mp-752510
12.618942
13.08493
-0.247954
other
Li6Ti4V6O20
36
2
382.53
mp-614628
13.763423
4.197958
-2.176694
other
Na6Ca2B10O20
38
2
433
mp-1211552
9.252345
6.912326
-3.684964
other
Li6Mn4Se8O24
42
2
583.08
mp-1190046
8.126865
2.028217
-0.455994
other
Sb2Au1Xe2F12
17
2
344.13
mp-1644256
8.271879
13.710258
-0.833244
other
Li8Ti6Co6O24
44
2
456.7
mp-1043434
12.498336
10.525548
2.140715
other
Ca4Ta2Nb4O16
26
2
334.31
mp-1202145
3.750644
2.879883
-4.033334
other
Re4C8N4Cl16
32
2
911.47
mp-2230290
12.478426
-0.829781
0.959896
other
Mg1Mn6O6F6
19
2
231.54
mp-772432
9.137254
5.521027
-5.332983
other
Fe2H8S4O20
34
2
435.47
mp-756667
12.208707
7.491066
-7.362112
other
Li4Ni4P4O16
28
2
336.39
mp-1198857
9.599614
4.922338
-6.928477
other
Rb8V4S8O38
58
2
997.46
mp-652353
5.052836
2.738119
-3.635378
other
P4C8S8N12
32
2
638.1
mp-1210939
6.988045
9.175761
-2.972833
other
Mn2Pd1N4O8
15
2
233.74
mp-559364
13.73508
4.655666
-2.241805
other
Sr2Bi4B8O20
34
2
435.09
mp-1192837
-4.04227
-2.29352
-4.207191
other
Al2Sb10Se10Cl8
30
2
996.7
mp-766170
12.555332
11.946825
1.084584
other
Li9Ti5Si2O16
32
2
281.52
mp-655377
9.882367
4.335573
-4.440654
other
Cu2H20S2O18
42
2
452.7
mp-1194509
10.924362
4.3825
-4.03021
other
K4Sb2H10O12
28
2
319.87
mp-554562
12.757794
5.612473
-3.211035
other
Ti4Cu18B12O44
78
2
905.56
mp-560675
10.917716
7.19166
-0.552727
other
K6Cu1Si2O8
17
2
301.24
mp-1399250
7.404779
5.378017
-1.986571
other
Li3Co2Cu3O10
18
2
175.96
mp-1272760
11.053222
11.187721
0.40979
other
Sr4Fe2W2O12
20
2
264.36
mp-754099
11.730074
12.392444
0.150662
other
Li4Ti2Fe4O10
20
2
192.89
mp-1212134
4.684159
2.307929
-3.307314
other
K4C14N8O2
28
2
495.42
mp-1217519
10.904834
12.061948
-3.551408
other
Th2V4Pb2O16
24
2
337.82
mp-780111
14.421189
5.232285
-2.684664
other
Li4Mn6B6O18
34
2
374
mp-768701
8.731206
14.098351
-0.721389
other
Li8Cr2Fe6O16
32
2
300.68
mp-770682
13.050475
6.590333
-1.023616
other
Li4Co2Si8O20
34
2
418.37
mp-721217
12.533661
5.271919
-5.560208
other
K8P8H8O28
52
2
764.34
mp-765150
13.908663
7.206223
-5.089675
other
Li2Sn8P6O24
40
2
632.23
mp-1175641
3.414272
23.349161
-1.471129
other
Li9Mn2Co5O16
32
2
293.24
mp-24620
10.786726
6.304116
-4.634645
other
Mg2Mo2H4O10
18
2
210.22
mp-554430
7.611926
6.647169
-3.072284
other
Na2Cu2I6O18
28
2
437.24
mp-1204562
9.712227
7.524067
-3.608401
other
Y4Mo2Se6O24
36
2
471.99
mp-18518
9.594726
0.22064
0.532653
other
Rb4Na2Mn6F24
36
2
533.55
mp-1208322
8.158092
2.270926
-1.140692
other
Te4Xe1O4F20
29
2
495.78
mp-1176722
12.339574
7.981593
-8.211546
other
Li6Mn12P12O48
78
2
897.54