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-781955
14.473731
5.209064
-2.680012
other
Li4Mn6B6O18
34
2
375.65
mp-557484
4.019176
2.800011
-3.90989
other
Bi2S8N6Cl8
24
2
648.4
mp-608398
2.256312
2.791831
-4.330934
other
Nb4S4N4Cl24
36
2
1,020.02
mp-721047
10.160291
3.088914
-3.823404
other
Ca2H16Cl4O8
30
2
332.5
mp-758663
6.632062
13.831458
-1.394133
other
Li8Mn2Ni8O20
38
2
345.7
mp-802184
7.884349
4.799634
-1.402848
other
Li4Mn2O4F2
12
2
113.96
mp-1043059
12.214955
10.982074
-1.722888
other
Ca3Fe4W6O24
37
2
596.64
mp-556308
8.395555
9.864034
-3.140958
other
Cr2Hg2Pb4O12
20
2
362.83
mp-753039
8.125575
14.383542
-1.355065
other
Li4Cr3Co3O12
22
2
215.48
mp-1382294
7.470348
5.127327
-1.836027
other
Sr2Co4As4O16
26
2
344.61
mp-1204794
8.040883
6.304374
-3.595856
other
Sm2H8I6O22
38
2
531
mp-803131
7.910835
5.434749
-1.631953
other
Li8Cr2Fe6O16
32
2
302.22
mp-1180042
4.998595
3.144177
-3.861968
other
Ni8C20Cl16O8
52
2
1,141.97
mp-753254
13.040923
6.86488
-1.142558
other
Li2Cr2Si6O16
26
2
306.97
mp-1224580
7.470405
7.618456
-3.948014
other
Na4Mn1Mo8O47
60
2
955.28
mp-1357031
0.519236
1.177239
-2.766624
other
Nb6Tl2Cu2Cl18
28
2
667.55
mp-14345
13.031868
5.792392
-6.340662
other
Ba2Zn2P4O14
22
2
304.78
mp-1175494
4.014896
22.812206
-1.318161
other
Li9Mn2Co5O16
32
2
285.12
mp-1239265
-5.292765
-0.079973
-5.760037
other
Nb2Cr6Ag4S16
28
2
607.99
mp-1280539
12.672327
13.482602
-0.802167
other
Li4Ti2V6O16
28
2
306.59
mp-801720
7.415333
4.932199
-1.704823
other
Li5Mn3Co2O10
20
2
188.79
mp-1193499
7.468391
6.501587
-3.058712
other
Ag2Pd2I6O18
28
2
465.42
mp-26609
10.178124
8.161482
-6.5753
other
Li2Cr4P6O24
36
2
443.34
mp-1202194
-4.248067
-1.958604
-3.265714
other
Cs4Hg2B18Se18
42
2
1,098.64
mp-1175141
6.693636
19.653316
-0.424528
other
Li14Mn8Co2O24
48
2
433.09
mp-1227590
12.311503
7.272696
0.929592
other
Ca8Al12O24F4
48
2
625.29
mp-1197902
8.215099
1.790352
-4.538651
other
H28Pb12C16O26
82
2
1,101.15
mp-1174205
7.22077
18.682072
-0.37551
other
Li4Mn3Co1O8
16
2
153.58
mp-1192881
12.042612
6.039523
-5.530524
other
Ba6P4Se8O8
26
2
621.81
mp-2219203
14.414583
7.447191
-6.638704
other
Mg1Mn2P2O8
13
2
163.04
mp-755312
9.465776
12.789693
0.204599
other
Li5Nb2Cu3O10
20
2
208.64
mp-559415
12.532108
6.494031
-1.095027
original
Na2Cu2Si4O11
19
2
269.55
mp-780197
14.368739
5.228243
-2.686499
other
Li4Mn6B6O18
34
2
373.95
mp-1193567
11.789283
11.422301
-3.834772
other
Tb4Mo4Br4O16
28
2
513.61
mp-1020022
12.978155
5.83661
-6.667983
other
Li6B2P4O16
28
2
290.74
mp-753466
12.192926
6.094167
0.85893
other
Li2V6O4F12
24
2
278.24
mp-753448
9.92893
0.685161
0.006974
other
Li4Ni6O2F12
24
2
265.44
mp-1193519
7.535207
7.274841
-4.167673
other
Li2U4Cl6O16
28
2
549.55
mp-761173
8.791127
5.985362
-6.122546
other
Li2V2S6O24
34
2
467.05
mp-696788
11.834168
5.096031
-5.25856
other
Co2P8H20O32
62
2
635.31
mp-1663233
11.936627
7.561388
-8.12505
other
Li12Mn4P8O32
56
2
580.06
mp-1174018
5.559368
19.217108
-1.26064
other
Li8Mn2Co6O16
32
2
294.63
mp-759649
10.277764
2.82696
1.914297
other
Li4V4O2F12
22
2
274.67
mp-696174
8.907199
3.531549
-5.697111
other
Na2H6C4O10
22
2
227.94
mp-1213513
7.213051
6.65866
-4.212518
other
Gd2Se4N2O22
30
2
526.9
mp-935791
7.672249
5.063419
-1.826644
other
Li2Sb4P10O36
52
2
651.05
mp-1202898
8.648527
7.362724
-4.441899
other
In4As8N4O28
44
2
729.48
mp-1197458
7.798051
4.562989
-6.015542
other
K8Th2C16O40
66
2
1,091.25
mp-1173957
6.99404
18.859804
-0.495455
other
Li3Mn2Co1O6
12
2
113.81
mp-504376
12.88427
7.565343
-7.298196
other
Li12Co10P16O56
94
2
1,090.07
mp-682064
7.946661
5.232018
-2.109883
other
Na4Mn2P4O14
24
2
302.49
mp-1202089
7.803851
4.83119
-5.923569
other
K12Co4C24O62
102
2
1,617.03
mp-1174081
5.56531
19.132431
-1.262312
other
Li4Mn1Co3O8
16
2
147.52
mp-1174444
3.506262
23.397373
-1.397426
other
Li8Mn2Co4O14
28
2
253.84
mp-1305682
9.935292
13.971413
-0.090827
other
Li6Mn8Sn2O16
32
2
342.74
mp-1197761
10.880766
9.095196
-5.899405
other
K8V16P8O64
96
2
1,380.54
mp-757746
13.698802
7.330328
-7.149083
other
Li10Mn2P6O22
40
2
440.02
mp-1046415
13.789339
8.312069
-5.958199
other
Sr2Mo2P4O16
24
2
339.96
mp-559119
7.712118
3.438559
-2.171674
other
I2N4O8F10
24
2
371.22
mp-754386
9.693352
13.936081
-0.476879
other
Li6Cr3Fe3O12
24
2
224.47
mp-1175695
3.869691
22.941963
-1.434026
other
Li9Mn2Co5O16
32
2
281.1
mp-753109
8.345895
13.897039
-0.729701
other
Li4Fe2Si1O7
14
2
122.58
mp-555519
10.375357
11.726062
-2.121181
other
Li2Cu1W2O8
13
2
147.34
mp-2227213
9.085777
14.410221
-1.24287
other
Mg1Mn3V1O8
13
2
151.21
mp-1345918
7.472071
5.96171
-2.761251
other
La6Mo8O32F2
48
2
765.59
mp-1042021
14.281766
7.36041
-6.10523
other
Ca4Fe4P8O28
44
2
556.59
mp-1272441
6.260943
10.596336
0.776145
other
Ca4La8Co4O24
40
2
529.31
mp-1229210
7.381322
9.6714
1.28978
other
Ba10Er5Cu15O34
64
2
898.36
mp-1179257
7.814659
5.780784
-4.244116
other
Sr2P4S4O18
28
2
504.08
mp-1047110
11.206268
11.294159
-2.229415
other
Y1Ag1W2O8
12
2
168.26
mp-1193095
7.516829
6.602641
-3.053297
other
Rb2In1I6O18
27
2
477.97
mp-504211
13.86657
7.015646
-6.021409
other
Li2Sn2P6O18
28
2
367.28
mp-753932
13.272557
7.842454
-0.71636
other
Li12Fe2Si4O16
34
2
348.22
mp-729481
7.426765
4.839602
-1.587483
other
Li2Bi4P6O24
36
2
552.47
mp-1212047
6.804813
5.985251
-3.777356
other
Na5Te2Au1O28
36
2
559.71
mp-1226428
10.794548
6.843231
-5.95311
other
Eu4P6H6O18
34
2
484.09
mp-756837
11.090736
9.85788
3.317928
other
Ca4Zr3Ta1O12
20
2
263.32
mp-2219641
14.302157
7.542468
-6.785275
other
Mg1Mn2P2O8
13
2
162.37
mp-766384
9.363845
8.12184
-5.670193
other
Li3Fe4P6O24
37
2
445.5
mp-771817
9.901855
8.150311
-6.223856
other
Li4Fe4P6O24
38
2
466.93
mp-754421
12.911722
11.797582
0.229491
other
Li10Nb4V6O20
40
2
393.24
mp-780283
10.069192
2.584179
1.830271
other
Li8V6O2F22
38
2
460.54
mp-767058
12.443311
6.857562
-1.335058
other
Li2Cr1Si6O15
24
2
290.94
mp-1368835
5.062257
3.064516
-3.720416
other
Tl2C8S8N2
20
2
604.13
mp-859111
12.050801
7.228324
-1.820369
other
Li3Fe3Si6O18
30
2
335.39
mp-755722
7.476806
5.92861
-2.183379
other
Li2Mn3Cr1O8
14
2
148.73
mp-1102410
6.974003
8.374345
-2.71375
other
Ca2Al1Cl1O8
12
2
197.7
mp-1202839
11.117332
7.514994
-1.41784
other
Li2Cd8Ge10O30
50
2
685.11
mp-1368593
14.242314
7.539427
-6.25209
other
Mg4Fe4P8O28
44
2
529.83
mp-740364
9.253222
7.609341
-5.403501
other
Bi2P6N2O20
30
2
440.38
mp-540530
12.869114
7.429084
-7.276024
other
Li2Co1P4O12
19
2
230.22
mp-23112
7.584063
2.424351
-1.524708
other
As2S6Cl6F12
26
2
507.8
mp-758087
8.749217
3.439693
-7.649717
other
Li4V3C6O18
31
2
312.93
mp-505610
11.602361
4.558837
-5.082374
other
Ce2P6H16O14
38
2
463.18
mp-780135
14.465966
5.23421
-2.68811
other
Li4Mn6B6O18
34
2
376.99
mp-758172
10.221032
0.745231
0.501521
other
Li8Ni6O4F12
30
2
293.59
mp-752566
14.333542
4.875108
-2.251671
other
Li6Fe2B10O20
38
2
385.74
mp-768628
14.15729
7.429227
-7.032339
other
Li10Mn4P6O24
44
2
509.7
mp-1305882
7.291081
18.482164
-0.393651
other
Li8Mn6Co2O16
32
2
304.5
mp-1228846
9.068527
2.137071
-2.298652
other
As1H4N1F6
12
2
132.2