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-1042882
10.705804
12.310944
1.469012
other
Ta6Zn3Fe4O24
37
2
533.94
mp-761322
13.308026
5.310439
-3.084648
other
Li4Ni4B4O12
24
2
232.68
mp-1194704
1.001139
2.231074
-4.645418
other
Ga8Sb16Te16Cl32
72
2
2,364.84
mp-708997
8.789917
1.4004
-4.245341
other
H52C12N4F16
84
2
771.97
mp-753018
11.434015
7.797002
-7.720406
other
Li2Fe2P4O14
22
2
261.58
mp-505697
11.821292
7.040681
-3.963557
other
Bi6P4Pb1O20
31
2
441.99
mp-560796
-3.912613
-1.796843
-5.759566
other
La4Mn1Cu6S10
21
2
405.23
mp-867972
8.691717
5.751031
-6.1331
other
Na12U2S8O40
62
2
893.6
mp-1175763
3.642281
23.583775
-1.375419
other
Li9Mn2Co5O16
32
2
287.25
mp-766408
13.914651
7.489482
-0.776595
other
Li4V2Si8O20
34
2
427.81
mp-1180071
9.826731
7.718129
-2.138339
other
Pb20S2Cl8O24
54
2
1,153.56
mp-581294
8.200466
2.035535
-0.648633
other
Ba4P8Xe16F80
108
2
2,100.04
mp-1193451
8.471202
5.82824
-5.838107
other
Na2Co4S4O16
26
2
352.02
mp-1238874
-4.962929
-0.109291
-5.539237
other
Ti4Cr4Ag4S16
28
2
521.48
mp-1344975
8.193652
5.63645
-1.82457
other
Li8Mn2O4F6
20
2
184.08
mp-1276311
6.441216
10.316046
0.77633
other
Ca4La8Fe4O24
40
2
551.46
mp-752791
9.012051
14.510883
-0.667857
other
Li2Mn3Sb1O8
14
2
164.35
mp-558777
10.729561
4.136203
-7.094289
other
K2Nd2S4O16
24
2
316.42
mp-768703
10.264147
13.811459
-0.328531
other
Li8Cr6Fe2O16
32
2
289.66
mp-1198194
12.017228
4.825682
-5.090628
other
Cs2P4H10O16
32
2
416.48
mp-1229154
12.404537
5.001993
-5.36839
other
Ca16P12H24O58
110
2
1,259.32
mp-2228489
8.990356
14.505975
-0.41791
other
Mg1Mn4Fe1O8
14
2
158.54
mp-1177469
7.657421
15.691231
-0.843143
other
Li4Mn3Fe3O12
22
2
226.94
mp-1207492
11.900949
6.314013
-6.105882
other
Zn3P2H4O8
17
2
223.79
mp-1227916
-6.041122
-2.67961
0.738628
other
Ca10Fe8As18Pt6
42
2
806.35
mp-759265
11.503453
7.52675
-7.021008
other
Li2Cu5P4O16
27
2
302.72
mp-1295016
12.985044
12.045753
0.062442
other
Li6Nb2V4O12
24
2
234.97
mp-703480
8.141436
4.454437
-4.421863
other
Ni2H16N4O20
42
2
464.71
mp-766023
12.484367
6.738341
-1.277988
other
Li4Cu4Si8O22
38
2
418.02
mp-729179
7.042609
6.016447
-4.3854
other
Te1P2N4O14
21
2
345.72
mp-11887
11.237302
9.312003
-0.140721
other
K2U3Te2O14
21
2
373.48
mp-1305541
6.619771
13.519357
-1.313167
other
Li6Ti2Ni6O16
30
2
285.55
mp-697367
12.085704
4.872122
-5.187024
other
Na4P4H8O16
32
2
354.53
mp-1224224
8.242272
7.26993
-4.680669
other
K4P2S2O16
24
2
416.79
mp-1227865
8.161018
8.079356
-3.130122
other
Ca4Fe5Si6O28
43
2
530.49
mp-2230006
6.631991
12.820606
-1.186715
other
Na4Mg1Ni5O10
20
2
199.94
mp-755482
13.765676
5.412848
-2.84703
other
Li2Mn4B4O12
22
2
246.91
mp-756021
6.62098
13.482126
-1.309277
other
Li5Cu2Ni3O10
20
2
177.23
mp-1176567
10.205927
2.444404
0.501368
other
Li2V6O2F22
32
2
437.03
mp-1275582
9.001814
14.707118
-0.334379
other
Li4Mn6Nb2O16
28
2
321.32
mp-653891
-1.299788
2.048083
-3.006987
other
Nb4Te8Se8I24
44
2
1,946.96
mp-1193901
11.793387
11.316434
-3.693734
other
Ho4Mo4Br4O16
28
2
503.67
mp-765709
10.509332
13.152154
0.141643
other
Li5Ti2Fe3O10
20
2
190.4
mp-1178614
7.819018
6.518929
-4.833098
other
Zn1S2N4O8
15
2
267.17
mp-1566038
7.958531
10.765307
1.026254
other
Ca8Mn4Sb4O24
40
2
487.07
mp-1662030
14.629935
7.757184
-5.719698
other
Li4Fe4P4O16
28
2
379.51
mp-2231235
10.581664
14.145152
-0.936429
other
Mg1Mn6O8F4
19
2
227.72
mp-1202551
11.37315
5.517923
-4.784962
other
Cu8As8H24O40
80
2
843.28
mp-1180966
12.189713
5.102934
-5.177687
other
La4P6H14O22
46
2
555.29
mp-779318
9.542032
7.96083
-6.044051
other
Li2Cr4P6O26
38
2
469.72
mp-1197627
10.548446
9.647598
-1.823047
other
Pu4Te8Cl4O22
38
2
728.45
mp-772589
13.597197
7.030897
-0.802414
other
Li4Fe2Si8O20
34
2
430.08
mp-1174460
3.963824
23.037537
-1.287517
other
Li8Mn2Co4O14
28
2
250.5
mp-1373670
9.644537
6.238667
-2.194893
other
Li4Cr4P4O16
28
2
350.59
mp-758336
12.98287
8.482223
-7.784538
other
Li6V2P6O22
36
2
419.15
mp-756928
10.988766
14.0779
-0.601066
other
Li6Mn3V3O12
24
2
229.88
mp-722485
11.881606
4.661929
-4.989548
other
Sr2P4H12O18
36
2
388.9
mp-798767
10.186264
6.301733
-2.906734
other
Li6P6W2O22
36
2
394.91
mp-798790
8.055331
5.342984
-1.956535
other
Li2V2P4O14
22
2
277.95
mp-556765
11.610164
11.110429
-3.654291
other
Na2Fe4Mo6O24
36
2
550.35
mp-773166
6.527111
13.52837
-1.404825
other
Li5Cu3Ni2O10
20
2
174.39
mp-1177146
12.987798
6.604475
-6.874383
other
Li10Bi2P8O28
48
2
561.94
mp-1390274
8.566195
3.99203
-6.947802
other
Li2Cu2C2O6
12
2
132.43
mp-558309
8.432946
1.434838
0.752078
other
K4Sn1Sb2F14
21
2
365.68
mp-1337096
14.321253
7.494574
-6.063495
other
Zn2Cr2P4O14
22
2
270.55
mp-1229200
8.154752
9.310871
0.884187
other
Ba10Cu5Hg5O21
41
2
732.48
mp-2226420
12.613008
12.690149
-0.916795
other
Mg1V3Zn2O8
14
2
161.13
mp-1194096
9.612572
7.07695
-3.329733
other
Sr8Ni4Se12O36
60
2
942.12
mp-23955
9.343955
5.953714
-4.347455
other
Cu2H4Se2O10
18
2
206.82
mp-1292456
9.711612
14.396976
0.287164
other
Li6Ti2Mn4O12
24
2
239.12
mp-1223474
8.7554
3.605297
-6.525893
other
K2H2C2O6
12
2
159.81
mp-2230488
11.265044
9.687097
2.645943
other
La4Mg1Ti3O12
20
2
251.35
mp-1211116
7.264743
1.742745
-3.966856
other
Ni1H36C60N12
109
2
1,059.43
mp-560005
-2.837729
0.597799
-3.853709
other
Tl4Re12S16Cl8
40
2
1,004.85
mp-1247517
-4.872725
-0.348281
-5.431359
other
Zr4Cr4Ag4S16
28
2
663.39
mp-1331541
13.780722
7.021107
-5.221594
other
Zn4Sn8P8O32
52
2
790.6
mp-761162
10.581931
1.108347
1.742424
other
Li4Mn6O2F12
24
2
301.49
mp-1210687
8.26655
2.865115
-1.372194
other
Ni1Sn2O6F6
15
2
273.32
mp-752567
6.679909
13.553956
-1.599901
other
Li3Co2Cu3O10
18
2
175.96
mp-560624
13.087556
5.647458
-6.46021
other
Na10Bi2P8O28
48
2
635.32
mp-1200276
7.978786
4.645455
-6.122814
other
Rb10Pt6C24O54
94
2
1,563.84
mp-1042160
12.11683
11.250965
-1.432954
other
Y2Mn2W4O16
24
2
309.82
mp-1289276
8.179442
13.310991
-0.732362
other
Li6Ni4Sn2O12
24
2
232.83
mp-1199921
6.680794
5.978939
-3.169407
other
Zr6C1I14O10
31
2
1,106.2
mp-1213434
12.742557
8.397972
-6.677166
other
Cu1P4Ru2O14
21
2
265.03
mp-758080
8.753837
3.504343
-7.577181
other
Li4V4C8O24
40
2
474.73
mp-672976
13.844267
6.858914
-5.881787
other
Li4Sn4P12O36
56
2
860.82
mp-1348355
12.188477
6.990873
-6.933847
other
Ca2Cu2P4O14
22
2
259.75
mp-1291341
10.016805
12.547926
0.221574
other
Li20Mn4O12F4
40
2
420.26
mp-2218867
7.319833
14.09803
-1.645775
other
Mg1Mn2Co2O8
13
2
144.61
mp-1645043
6.452274
20.198225
-0.444451
other
Li14Mn8Co2O24
48
2
432.35
mp-1181674
8.494591
7.245152
-5.000672
other
K4Zn8P8O42
62
2
1,012.36
mp-556369
9.314723
7.209041
-3.598484
other
Cd2Hg4Se2O12
20
2
330.44
mp-755233
8.407454
16.63998
-0.058242
other
Li6Ti2Mn6O16
30
2
310.03
mp-25923
14.341661
7.601938
-7.014016
other
Li6Mn9P8O32
55
2
658.05
mp-1180100
8.37518
5.59565
-3.982754
other
Ni1H12Br2O14
29
2
354.31
mp-1020683
13.016632
6.04282
-6.694386
other
Na2Ca2P6O18
28
2
362.43
mp-769530
8.23529
14.784508
-0.999563
other
Li6Mn8Fe4O24
42
2
443.44
mp-555821
11.472644
7.306807
-4.106155
other
Na4Cu1As2O8
15
2
186.35
mp-782062
11.278289
11.030757
3.347372
other
Y4Nb8N4O20
36
2
473.33