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-1280525
6.350322
13.186477
-1.416214
other
Li4Ni6Sn2O16
28
15
293.54
mp-1197103
11.30234
6.451447
-6.855986
other
Ga4P6N6O24
40
15
627.96
mp-757369
13.275157
7.484759
-7.113858
other
Li4Co2P4O14
24
15
258.12
mp-1211761
1.128552
1.747163
-4.169957
other
K6Zr12Be2Cl30
50
15
1,379.28
mp-1199265
9.455092
7.049
-3.603407
other
Nb4Pb4Se8O30
46
15
763.34
mp-754148
11.579311
13.67484
-1.114209
other
Li4V4Fe2O12
22
15
226.15
mp-1048563
10.795515
12.068354
2.235049
other
Mg4Nb4Cu2O16
26
15
299.65
mp-1182012
7.056167
6.555878
-4.403253
other
Ca2P2Br2O16
22
15
424.11
mp-22614
11.209136
7.712368
-1.770963
original
Na2Fe2Ge4O12
20
15
245.3
mp-768794
13.76088
4.677245
-2.225797
other
Li4Bi4B8O20
36
15
537.08
mp-1201215
7.280234
4.744706
-4.541839
other
H14Au2N8O30
54
15
553.94
mp-1203361
10.13817
4.173739
-4.924852
other
Eu4H32S6O40
82
15
905.18
mp-557436
-2.982292
-0.270548
-4.774499
other
Na4Nb8P4S40
56
15
1,407.35
mp-1045787
12.932708
7.14219
-7.016493
other
Ca2Co2P8O24
36
15
484.71
mp-1045786
12.628206
7.167749
-7.201792
other
Mg2Ni2P8O24
36
15
437.44
mp-557893
10.717664
11.034513
-2.69778
other
Li4U8W8O50
70
15
1,014.95
mp-26368
10.13687
8.408862
-7.13997
other
Li2Mn4P6O24
36
15
411.31
mp-767480
8.675705
12.622735
-0.605873
other
Li6Cu4Sb2O12
24
15
240.33
mp-767696
10.184546
5.101172
-4.370209
other
V4Co2H16O20
42
15
451.9
mp-707917
8.157652
3.511777
-4.752709
other
H18C4N22O16
60
15
596.07
mp-643105
9.078374
9.105014
0.666067
other
Ba6Na2Bi2O12
22
15
572.29
mp-560466
9.497463
0.543997
0.463537
other
Na8Fe4Cu4F28
44
15
579.96
mp-1198898
13.75086
5.268142
-6.599845
other
Cs2Th4P6O24
36
15
499.36
mp-757456
13.737837
7.315315
-6.675802
other
Li8Fe2P12O36
58
15
678.31
mp-1212433
7.765639
7.954305
-3.880574
other
K2Al6P16O72
96
15
1,397.33
mp-778111
9.450861
7.791203
-5.541569
other
Li6Bi6P16O58
86
15
1,271.33
mp-722867
12.454277
6.64186
-1.195335
other
Ca6Cu10Si18O52
86
15
1,045.56
mp-1222017
11.433969
8.051826
-7.988124
other
Mn6Ag2P6O24
38
15
456.64
mp-768590
9.633041
5.206142
-6.75877
other
Li4Ni4S6O24
38
15
433.95
mp-558455
13.590615
4.991625
-2.386811
other
Na8Li10B6O18
42
15
439.47
mp-1203859
7.835104
1.038517
-4.02301
other
Fe2B20H52O16
90
15
801.41
mp-759187
14.716083
7.828963
-4.621078
other
Li6Ti4P6O24
40
15
469.16
mp-557183
9.304672
8.813201
0.373342
other
K2Na2Zn2O4
10
15
157.39
mp-1045817
9.018685
2.127408
0.873635
other
Ba4Cu2Mo4F28
38
15
621.28
mp-26227
14.445702
8.436362
-6.775714
other
Li4V4P8O28
44
15
506.39
mp-559783
13.025048
5.229899
-6.186026
other
Na12B4P8O32
56
15
682.62
mp-1046817
9.497784
11.294891
-1.158892
other
Ca8Ni10Te6O36
60
15
748.49
mp-19287
13.671145
7.69637
-1.02237
other
Na4V4Si8O24
40
15
447.43
mp-1042892
11.425619
7.666072
-1.402215
other
Zn2Cu2Ge4O12
20
15
249.44
mp-1262752
11.45371
7.401902
-2.04274
other
Zn6Co4Si8O28
46
15
524.68
mp-1212294
6.781637
5.980439
-3.392783
other
K2Ni2Br6O12
22
15
436.68
mp-1209276
11.161315
11.246234
-1.978236
other
Rb2Pr2W4O16
24
15
341.42
mp-1191500
6.618757
6.053948
-3.466239
other
Rb2Mg2Br6O12
22
15
460.78
mp-699582
9.518146
1.262816
1.645895
other
Na16Al8Fe8F56
88
15
1,117.18
mp-1042955
12.520744
8.041496
-0.9349
other
Zn2Sn2Ge4O12
20
15
300.43
mp-1181679
5.333677
2.656269
-3.404444
other
Ga8Si8C32N8
56
15
1,328.86
mp-554280
13.795708
5.19513
-6.677284
other
Rb2Th4P6O24
36
15
503
mp-1210736
11.023053
11.413257
-2.043213
other
Lu2Tl2W4O16
24
15
322.92
mp-1199511
12.043706
4.821535
-5.122381
other
Rb2P4H10O16
32
15
388.74
mp-1213822
11.437867
11.353185
-1.935355
other
Ce2Tl2W4O16
24
15
346.18
mp-1210540
2.821955
2.909153
-4.150296
other
Nb6N4Cl14O10
34
15
875.63
mp-1120808
11.519218
11.463771
1.711314
other
Ti4Zn2Sn4O14
24
15
406.78
mp-554259
13.739982
4.272365
-2.379438
other
Sr4Ag4B28O48
84
15
879.01
mp-11206
13.620381
7.846668
-0.736289
other
Li2Ti2Si4O12
20
15
216.85
mp-650124
-3.065761
0.765044
-3.905076
other
K4Rb4Re12S26
46
15
1,130.66
mp-1212770
5.431776
2.657272
-3.490578
other
H2C18N20Cl14
54
15
1,193.98
mp-1228268
6.136858
11.282839
0.692309
other
Ba2Nd8Co10O30
50
15
590.88
mp-1210530
9.283549
3.528033
-5.574025
other
Na6H14C4O12
36
15
382.4
mp-721562
12.158673
5.073405
-5.281184
other
K8P12H20O44
84
15
1,093.13
mp-1249267
11.748351
7.203616
-1.709303
other
Ca6Co4Si8O28
46
15
557.12
mp-707349
9.78968
3.108304
-3.853124
other
Rb4B24H32O28
88
15
828.27
mp-1189288
8.401157
2.047912
-1.134832
other
K2As2O4F8
16
15
246.36
mp-1263117
10.500988
7.324912
-2.245821
other
Zn6Si8Ag4O28
46
15
581.97
mp-759162
14.549301
8.595201
-6.511636
other
Li4V6P10O36
56
15
801.56
mp-767710
14.785284
8.103034
-5.834623
other
Li8V4P8O28
48
15
551.76
mp-1209157
11.003063
11.329587
-1.906639
other
Rb2Tm2W4O16
24
15
315.39
mp-1258028
12.390117
7.019681
-1.473331
other
Zn2Si4Ni2O12
20
15
224.16
mp-1046822
12.440228
10.938041
1.727601
other
Mg4Nb4Mo2O16
26
15
312.8
mp-561536
13.600126
4.634015
-2.175344
other
Na2Mg2B2O6
12
15
124.1
mp-1272663
8.616879
10.546088
1.254027
other
Sr6Co2Ru2O12
22
15
297.27
mp-1104878
12.508075
9.390732
-7.327271
other
V2P2O8F2
14
15
171.68
mp-1045839
14.189195
7.122855
-6.115845
other
Ca2Cr2P8O24
36
15
505.61
mp-24436
11.818842
5.640557
-4.441489
other
Ca10As8H20O40
78
15
961.94
mp-1211497
10.733888
11.458208
-2.218091
other
K2Sc2W4O16
24
15
313.85
mp-1191155
13.16722
6.038954
-6.881695
other
Ti2P4Pb2O16
24
15
330.1
mp-1046628
10.158381
11.350966
-1.138567
other
Mn10Zn8Te6O36
60
15
744.02
mp-1043218
13.429461
8.724632
-0.948201
other
V4Zn4Ge8O24
40
15
492.54
mp-1176581
14.538767
7.84833
-4.963519
other
Li4Ti4P8O28
44
15
502.52
mp-705314
10.775346
8.898176
-7.364708
other
Li6V6P16O58
86
15
1,151.31
mp-1212239
2.401438
2.876943
-4.230453
other
Hg6Pt2N4Cl16
28
15
872.72
mp-26864
12.043325
8.811768
-6.327628
other
Li2Mo2P4O16
24
15
307.14
mp-9842
8.730355
3.645994
-7.147185
other
Rb2Sm2C4O12
20
15
293.64
mp-6124
12.931325
6.557881
-0.651519
other
Na2Al2Si4O12
20
15
208.86
mp-17850
9.697436
8.5067
2.650331
other
K6Na2Th4O12
24
15
438.92
mp-1195773
11.675055
7.210114
-3.856229
other
Ba6As8H4O28
46
15
731.71
mp-769256
1.52789
2.522097
-5.419131
other
Li8Cu8Cl20O2
38
15
781.88
mp-1194826
-3.705058
-1.60683
-5.568279
other
K8Cd4Sn4S16
32
15
951.74
mp-1643720
6.798613
14.180861
-1.68787
other
Li8Ti2Co10O24
44
15
423.49
mp-1213198
12.234326
7.08341
-6.065248
other
Cu2Ag4P4O14
24
15
338.42
mp-1221048
10.425174
12.295575
-3.780504
other
Na2Li2V4O12
20
15
291.66
mp-1213049
10.880503
11.003679
-3.628742
other
Cs2Tm2Mo4O16
24
15
335.68
mp-1199949
9.470273
1.517318
1.610683
other
Tm10B4O12F18
44
15
495.24
mp-559093
-2.528975
-0.559714
-5.346102
other
Tl8Bi4P8S28
48
15
1,330.45
mp-26361
11.07936
7.956923
-7.327599
other
Li2Co2P8O24
36
15
433.16
mp-25963
12.143868
7.567831
-7.531566
other
Li2Fe2P8O24
36
15
445.18
mp-23967
9.458157
5.866378
-4.302611
other
Co4H8Se4O20
36
15
402.61
mp-753513
11.837404
7.661201
-8.080652
other
Li12Mn4P8O32
56
15
580.67
mp-1202214
2.176233
2.586322
-3.847272
other
Nb6Br14N4O10
34
15
879.49
mp-24250
10.782763
4.605145
-6.147307
other
Mn4H4S2O12
22
15
212.74
mp-1046492
14.485184
7.839396
-3.932789
other
Ca2Ti2P2O10
16
15
195.22