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-562216
12.689819
6.471581
-0.724463
other
Ba8Co4Si8O28
48
15
744.22
mp-1182732
9.879544
4.391975
-4.84236
other
Ce4H32S6O40
82
15
1,034.45
mp-1205018
13.079161
5.853684
-6.905899
other
Ba2In4P8O28
42
15
586.11
mp-753060
14.268048
12.291234
-0.561359
other
Li2V4O4F6
16
15
184.14
mp-1203539
11.519957
10.984461
-3.637089
other
Gd4Sb4Mo8O36
52
15
865.47
mp-1104978
2.817077
3.286076
-4.342871
other
Rb2Co2Cl6O4
14
15
338.72
mp-1046651
11.674472
7.902659
-7.755061
other
Mn2Zn2P2O10
16
15
190.03
mp-560866
13.16691
6.023426
-6.773078
other
Li2La2P8O24
36
15
487.34
mp-540550
7.845441
5.100841
-3.7657
other
Na4H8Cl4O20
36
15
464.4
mp-757018
12.641166
7.579066
-7.416156
other
Li4Co4P4O16
28
15
379.4
mp-560776
12.443497
6.52873
-6.667321
other
Sr6Cu6P8O32
52
15
713.17
mp-6535
13.787477
4.595129
-1.942221
other
Nd2Al6B8O24
40
15
378.2
mp-767778
13.956581
8.906332
-1.13972
other
Li4V6Si6O20
36
15
408.47
mp-1210518
11.750581
11.174376
-3.088403
other
Na6Mg4Mo6O24
40
15
558.41
mp-1308674
9.959658
14.058721
-0.497047
other
Li8Cr6Co2O16
32
15
294.49
mp-757933
12.0339
7.077141
-1.57455
other
Li4Cr2Si8O22
36
15
412.22
mp-1045940
11.304207
10.802773
2.666625
other
Ca4Ta4Sn2O16
26
15
378.77
mp-1176594
14.256496
7.934204
-5.32835
other
Li2P8W2O24
36
15
471.64
mp-558853
7.724294
2.709847
-2.32141
other
As4C12N12F32
60
15
860.55
mp-1177967
7.301816
14.333733
-1.138206
other
Li4Fe2Co2O8
16
15
138.63
mp-1204480
10.574448
7.192708
-6.083391
other
Tl4Ag6P6O24
40
15
543.83
mp-689934
14.22289
7.434751
-6.603658
other
Li4Cr2P4O14
24
15
289.44
mp-1254678
13.20374
7.481059
-0.857291
other
Zn6Si8Sb4O28
46
15
621.75
mp-559703
10.376548
9.301143
-1.925769
other
Ba2La4Te10O28
44
15
757.22
mp-1191766
6.292312
5.958924
-3.735728
other
Rb2Mg2Br6O12
22
15
572.15
mp-553884
8.180055
6.475456
-0.706939
other
Ba10Si2Br12O8
32
15
911.82
mp-1176552
14.282498
12.280816
-0.572762
other
Li2V4O4F6
16
15
184.16
mp-1361380
9.302439
0.860684
-0.08894
other
Ba4Fe4Cu2F28
38
15
590.89
mp-1044660
13.885651
7.006397
-5.025414
other
Ca4Sn8P8O32
52
15
822.18
mp-1043189
12.001321
7.621476
-1.208879
other
Mg2Co2Ge4O12
20
15
227.28
mp-1046160
11.126706
11.853916
2.162157
other
Ta8Zn8Co4O32
52
15
605.91
mp-755983
11.966603
12.501381
-2.64109
other
Li2V4Fe2O12
20
15
247.65
mp-1194839
12.095428
8.756495
-5.906805
other
P24Rh8W16O120
168
15
2,308.93
mp-558283
12.845611
8.685637
-5.881282
other
K2Mo4P6O26
38
15
571.15
mp-780125
9.527062
7.939563
-6.024012
other
Li2Cr4P6O26
38
15
500.65
mp-1188668
11.208171
6.250708
-6.086744
original
Fe2P2H4O10
18
15
183.3
mp-1196758
13.776641
4.299033
-2.149848
other
K4Cd4B12O24
44
15
569.81
mp-1213289
10.921217
11.021738
-3.656745
other
Cs2Tb2Mo4O16
24
15
344.47
mp-1207739
11.04068
11.418367
-2.090205
other
Tm2Tl2W4O16
24
15
328.1
mp-849303
12.13124
7.473262
-7.472989
other
Li2Mn2P8O24
36
15
489.55
mp-9805
8.061534
5.05599
-6.299514
other
K2Yb2C4O12
20
15
278.66
mp-581396
11.431485
9.147703
0.124608
other
Rb12U10V4O46
72
15
1,298.71
mp-1181623
7.530293
6.133191
-3.458282
other
Cu4Te4N4O16
28
15
571.45
mp-554616
12.563137
7.291231
-6.915156
other
Si2Ni4P8O28
42
15
508.97
mp-1194412
9.861533
7.419231
-2.793204
other
Pb6Se4Br4O12
26
15
533.34
mp-543110
11.110314
11.012013
-3.954027
other
Nd4Tl2Mo8O32
46
15
685.54
mp-8924
0.904754
2.281464
1.683962
other
Ba4Li2Fe4N6
16
15
274.05
mp-541601
13.13835
6.055973
-6.621937
other
K2Pr2P8O24
36
15
487.13
mp-1641618
12.789576
12.362
-0.229895
other
Li12V10Sb2O24
48
15
513.04
mp-1210933
11.699188
11.882224
-2.137146
other
Li2V2W4O16
24
15
274.92
mp-1210410
11.762882
11.047832
-2.088014
other
Na6Zn4W6O24
40
15
579.43
mp-554228
9.50692
1.832415
1.089363
other
Na8V4O4F16
32
15
441.98
mp-752820
15.045697
8.129642
-5.191239
other
Li4V2P4O14
24
15
297.27
mp-26705
13.380627
7.895168
-7.530223
other
Li6Cr4P6O24
40
15
446.42
mp-559037
-0.8772
0.802319
-3.751104
other
Rb6Nb12S2Br34
54
15
1,657.04
mp-2714694
10.799954
4.080982
-7.531918
other
Na12Zn12S18O72
114
15
1,523.52
mp-540420
8.986119
8.045898
-5.190984
other
Li2Fe4P6O24
36
15
445.67
mp-19432
10.592925
12.283828
-3.734965
other
K2Na2V4O12
20
15
319.81
mp-27033
13.782643
6.99388
-6.177833
other
Li8Sn4P8O28
48
15
612.67
mp-19203
12.908344
6.869232
-1.285595
other
Ba4Co8Si8O28
48
15
661.52
mp-757185
14.310608
7.324867
-7.096496
other
Li4Mn4P4O16
28
15
406.43
mp-1204339
9.527011
5.386059
-4.382296
other
U2Cr8H36O48
94
15
1,046.25
mp-1221280
14.393927
4.758136
-7.181813
other
Na6Sc4P6O24
40
15
528.67
mp-1193860
7.541422
7.427942
-3.941754
other
Cs2In2Se4O20
28
15
494.89
mp-1213835
9.08796
5.194576
-5.603201
other
Co2H2S2O8
14
15
155.26
mp-542280
13.164784
5.970675
-6.613108
other
Na8Ca2P12O36
58
15
733.14
mp-556692
12.459117
7.811217
-7.542963
other
Na2Fe6P6O24
38
15
437.6
mp-560490
4.990278
1.969841
-2.565403
other
La4C4N8O2
18
15
253.21
mp-1312602
12.532135
13.193384
-0.823208
other
Li4V6Sn2O16
28
15
320.92
mp-1045930
12.300873
10.789196
2.168593
other
Mg4Ta4Ti2O16
26
15
300.76
mp-1197464
10.314239
9.571324
-2.224588
other
Ag4Te8Mo2O24
38
15
592.77
mp-560356
-2.920206
-2.198119
-5.916269
other
Sm6Si4S16I2
28
15
661.87
mp-18194
13.227314
6.118435
-6.78884
other
Li2Tb2P8O24
36
15
462.38
mp-556112
2.677434
2.654252
-4.470703
other
Au4C4S8Cl12
28
15
837.12
mp-1293023
11.880125
13.751805
-1.231986
other
Li4Mn2V6O16
28
15
299.74
mp-1199082
8.369625
2.243456
-0.996347
other
Sr4Al4O8F16
32
15
466.74
mp-23636
1.511351
2.794247
-6.219601
other
Cs6Np2Cl8O4
20
15
676.79
mp-1176593
13.750949
6.894728
-6.293525
other
Li2Sn2P8O24
36
15
502.97
mp-753589
12.155212
13.256196
-0.259936
other
Li4V2Cr2O8
16
15
150.33
mp-1180641
5.399995
2.649407
-3.132235
other
Nd2Si12C36N6
56
15
891.23
mp-24316
11.568943
4.929663
-5.436212
other
Cd2P4H8O8
22
15
287.27
mp-1201643
11.700371
8.610757
0.375621
other
Cs6U4P2O20
32
15
654.45
mp-18894
13.001917
6.805268
-1.112556
other
Ca2Co2Si4O12
20
15
229.73
mp-766379
13.937961
8.39599
-0.872547
other
Li8V4Si6O20
38
15
432.69
mp-754179
9.35611
8.104027
-5.908225
other
Li2Mn2P4O16
24
15
282.73
mp-1043196
11.887853
7.735273
-1.358182
other
Zn4Co4Ge8O24
40
15
485.47
mp-1157256
13.722652
7.718438
-0.835951
other
Ca4Cr4Si8O24
40
15
483.12
mp-558000
11.532554
10.984351
-3.652893
other
La4Sb4Mo8O36
52
15
928.03
mp-1248580
13.781548
7.601048
-0.79535
other
Mg2Cr2Si4O12
20
15
237.44
mp-1154479
13.726229
7.645287
-0.829872
other
Mg4Fe4Si8O24
40
15
459.14
mp-695992
7.540019
5.705836
-3.356184
other
Li4H8Br4O20
36
15
500.28
mp-8845
5.286612
3.657711
-4.097487
other
Se2S4N4O4
14
15
310.48
mp-1212724
10.539737
11.412751
-2.418439
other
Ho4Cu2W8O32
46
15
581.12
mp-1199328
11.593141
7.497216
-4.087883
other
Ba6U4As8O38
56
15
932.15
mp-704669
9.93422
10.613297
-3.883492
other
Ba2Yb4Mo8O32
46
15
670.05
mp-2714429
15.244017
3.752114
-7.816786
other
Na12Ta12Si18O72
114
15
1,586.22
mp-1196627
7.88415
8.585004
-3.780835
other
Re6Ru2N12O28
48
15
962.23
mp-1041045
14.580101
7.912388
-5.501473
other
Mg4Fe8P8O32
52
15
625.13
mp-1275494
7.094487
14.407467
-1.495938
other
Li6Cr2Co6O16
30
15
294.07
mp-1046751
11.641323
12.027133
1.759068
other
Nb4Zn4Fe2O16
26
15
309.26