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-1272899
9.072655
14.24437
-1.017971
other
Li2Cr2Co1O6
11
2
111.64
mp-618807
11.271838
10.806891
-3.436137
other
K2Sb2Mo4O16
24
2
376.41
mp-753180
14.436205
8.382396
-4.250282
other
Li2P4W2O14
22
2
269.95
mp-752890
8.001066
4.44396
-6.597428
other
Li2Cu4C4O14
24
2
308.08
mp-1194971
9.409265
7.734225
-2.858533
other
Ni10Se8Cl4O24
46
2
693.63
mp-802816
7.714653
5.033956
-1.546421
other
Li8V6Cr2O16
32
2
302.56
mp-6775
13.783344
4.201501
-2.158325
other
Na6Sr2B10O20
38
2
463.85
mp-1213122
10.856077
10.789455
-3.884
other
Cs2Rb2Mo6O20
30
2
556.98
mp-1192170
13.326541
7.462973
-7.162844
other
Ba1Cr2P4O14
21
2
290.51
mp-752788
15.019024
8.187868
-5.105055
other
Li8V4P8O28
48
2
555.7
mp-558759
10.270772
9.329006
-1.911634
other
Cd8Te12Cl12O26
58
2
1,087.55
mp-1290720
9.937413
13.967854
-0.089538
other
Li6Mn8Sn2O16
32
2
342.65
mp-1293179
6.560725
15.061856
-1.536829
other
Li8Co6Ni2O16
32
2
286.7
mp-1208114
10.71516
12.333626
-3.843128
other
V6Zn2Fe4O22
34
2
439.09
mp-12384
-2.398198
-0.598231
-5.250667
other
Na2Er2P4S12
20
2
459.97
mp-779887
10.685956
8.009699
-7.010627
other
Li4Cr2P4O16
26
2
307.49
mp-1174464
3.568436
23.38509
-1.378866
other
Li8Mn2Co4O14
28
2
253.54
mp-759981
12.50056
7.12248
-7.087976
other
Na4Cu4P12O36
56
2
743.85
mp-1175652
3.606266
23.420166
-1.426224
other
Li9Mn2Co5O16
32
2
286.31
mp-1200560
7.4663
6.464368
-3.012357
other
Cs2Au2I8O24
36
2
666.31
mp-2216240
11.457717
9.30858
-7.055942
other
Mg1V4P4O20
29
2
350.62
mp-557121
-3.778737
-1.571019
-5.575686
other
K4Sn2Au4S8
18
2
522.25
mp-859799
6.947237
13.302755
-1.236626
other
Li9Si2Ni5O16
32
2
267
mp-1295192
8.088609
4.42766
-6.998021
other
Li4Mn4C8O24
40
2
393.22
mp-2231518
5.969195
12.357326
-1.957997
other
Mg1Fe6O10F2
19
2
216.11
mp-19194
13.91491
6.812566
-6.407774
other
Ba2Mn2P4O14
22
2
291.13
mp-554339
13.08912
7.886296
-5.993849
other
Ba6Mo4P8O36
54
2
825.34
mp-757994
14.254494
7.928918
-5.339694
other
Li2P8W2O24
36
2
470.67
mp-754679
10.826024
13.570421
-0.669964
other
Li5V2Fe3O10
20
2
187.84
mp-1193174
12.958766
6.047993
-6.457759
other
Na4P6H2O18
30
2
392.52
mp-559469
9.324053
3.491332
-5.37259
other
Ca2H12C4O14
32
2
330.86
mp-777185
15.054646
8.304206
-5.658271
other
Li8V4P6O24
42
2
485.73
mp-505551
12.37059
5.201851
-5.541716
original
In2P2H4O10
18
2
192.21
mp-1228741
9.216892
8.894444
3.378826
other
Ba10Ce8Zr2O30
50
2
856.55
mp-756830
10.5145
7.415493
-2.314143
other
Mg1Cu2Si4O12
19
2
216.57
mp-2218839
8.876396
14.489008
-1.112186
other
Mg1Mn3Cr1O8
13
2
147.74
mp-731702
7.809947
5.206166
-1.822467
other
Li4Cr4P4O16
28
2
350.59
mp-753046
7.380204
14.014074
-1.266287
other
Li3Ti2Co3O10
18
2
187.35
mp-570962
1.567268
2.553207
-4.494185
other
Sb1I3Br2Cl6
12
2
486.1
mp-22285
14.285879
8.439033
-6.605279
other
V2P4Pb1O14
21
2
273.05
mp-1175801
4.186924
22.551414
-1.319022
other
Li9Mn2Co5O16
32
2
281.58
mp-758909
14.338886
7.878745
-6.07452
other
Li4Fe4P4O16
28
2
352.8
mp-1215402
-7.761678
-0.643883
4.275593
other
Zr1Ga6Fe3Co3
13
2
178.76
mp-1012835
11.426951
11.34785
-2.093622
other
Sm2Cu2W4O16
24
2
315.57
mp-683427
8.017826
10.041352
0.875697
other
Ba4Ca2Pd6O12
24
2
393.39
mp-1181150
10.591878
5.066949
-5.393665
other
Mn10H16S2O24
52
2
573.96
mp-1199388
7.233436
4.918322
-5.141935
other
Cu2C8N4O20
34
2
579.95
mp-2229909
11.027075
11.770157
-3.261035
other
Mg1V2Ag6O8
17
2
277.57
mp-1208079
10.825347
11.273942
-2.642065
other
V4Bi6Pb1O20
31
2
483.37
mp-540517
11.083616
8.172784
-7.942192
other
Li2Mn10P16O56
84
2
1,120.52
mp-1376587
7.546178
4.990863
-1.723695
other
Li2Ti2Si6O16
26
2
311.21
mp-607454
4.88488
2.9421
-3.828666
other
Al4C12N12Cl24
52
2
1,163.56
mp-1239244
-4.854877
-0.375111
-5.527656
other
Hf4Cr4Ag4S16
28
2
647.86
mp-2226480
6.471688
12.868292
-1.557376
other
Mg1Co1Ni4O8
14
2
143.85
mp-1198614
7.198793
6.729561
-4.017516
other
La2Te1Mo6O44
53
2
949.83
mp-850784
14.495635
5.212669
-2.682817
other
Li4Mn6B6O18
34
2
377.4
mp-1175717
3.509723
23.523613
-1.477445
other
Li9Mn2Co5O16
32
2
283.59
mp-706543
12.145095
5.014851
-5.165552
other
Ba2P4H8O16
30
2
402.15
mp-1176841
10.158425
12.181101
0.234637
other
Li16Fe2O8F4
30
2
280.79
mp-780137
14.818944
5.384205
-2.616605
other
Li6Mn8B8O24
46
2
475.61
mp-557355
13.201329
6.158269
-6.547384
other
Rb4Si2P8O26
40
2
554.18
mp-1221933
13.436876
6.761703
-6.561896
other
Mn3Zn9P8O32
52
2
680.99
mp-766051
13.699857
8.53906
-0.982892
other
Li4V4Si4O16
28
2
350.61
mp-752659
14.397313
7.539602
-6.432624
other
Li8Fe4P8O28
48
2
547.72
mp-851443
7.531947
4.935831
-1.724154
other
Li6Sb6P8O32
52
2
749.45
mp-1105104
2.736793
3.035416
-4.087426
other
Pd1Au2N4Cl8
15
2
412.15
mp-767363
7.90208
15.023653
-0.848895
other
Li3Mn2Fe2O8
15
2
145.19
mp-1275120
10.827423
0.019699
0.4685
other
Li8Mn4O4F12
28
2
307.09
mp-849418
11.994246
13.345109
-0.683982
other
Li6V6Cr4O20
36
2
378.46
mp-1194018
5.880183
4.38812
-4.00406
other
Ti2S10Cl4O12
28
2
818.04
mp-777381
6.728219
16.114305
-1.472776
other
Li4Mn2Co4O12
22
2
217.89
mp-757344
12.652011
6.992467
-1.338569
other
Li4Si8Ni4O22
38
2
415.18
mp-772945
12.497694
7.571838
-8.131197
other
Li8Mn4P6O24
42
2
493.29
mp-768477
12.28731
7.966145
-8.22811
other
Li6Mn12P12O48
78
2
901.53
mp-1046180
13.506002
5.816674
-7.009326
other
Sr2Ti2P4O16
24
2
331.28
mp-699243
10.768081
10.32962
1.646669
other
La5Mg1Re3O16
25
2
329.41
mp-1201819
10.699282
7.978247
-7.128992
other
Zn4Fe5P6O28
43
2
522.86
mp-1369691
7.730394
5.761981
-1.973834
other
Li9Mn2Co5O16
32
2
282.58
mp-1196246
11.183635
5.338608
-5.194978
other
Al6P4H16O28
54
2
486.29
mp-1194718
8.196473
0.64832
-4.346188
other
B2H34C10N4
50
2
492.3
mp-1193655
10.156423
4.630402
-5.702787
other
Ca1H6S4O16
27
2
363.78
mp-1182623
7.159085
6.497277
-4.399018
other
Mg1Fe4S6O46
57
2
1,013.61
mp-1192770
7.590695
6.62201
-2.931241
other
Rb3In1I6O18
28
2
516.66
mp-1214202
8.676709
7.539952
-4.502666
other
Ca2Mg1P2O10
15
2
191.83
mp-1212007
10.450365
9.749853
-3.978661
other
Mo8H4N4O26
42
2
678.23
mp-557503
6.240885
5.04413
-4.555236
other
Cs4Ni2N8O24
38
2
644.93
mp-771065
8.743661
14.121345
-0.713396
other
Li8Cr2Fe6O16
32
2
301.35
mp-696181
10.308047
3.451509
-4.272126
other
U1H12N2O8
23
2
205.42
mp-1175836
4.041409
22.738987
-1.314289
other
Li9Mn2Co5O16
32
2
283.55
mp-1181229
9.141876
6.618416
-5.771429
other
K6Ag4P10O40
60
2
1,023.6
mp-18252
12.469067
7.236582
-7.030989
other
Sr2Ni4P4O16
26
2
313.02
mp-734306
7.538419
4.883153
-1.720379
other
Na4Te4H8O14
30
2
414.47
mp-697670
13.075185
6.201168
-0.565475
other
K2Al2Si6O16
26
2
376.25
mp-1290530
10.13345
13.932321
0.278683
other
Li3Ti1Mn4O8
16
2
165.08
mp-1198063
10.588854
6.679376
-2.26289
other
Na4Ti4Si4O22
34
2
472.03
mp-1203208
-5.854647
-3.332177
-1.799555
other
Cs6Hf4Cu2Te20
32
2
1,293.24
mp-1103927
7.782829
9.78896
-3.736502
other
K2Cr2Ni1O10
15
2
240.86
mp-1173985
4.333967
22.758263
-1.093078
other
Li6Mn2Co2O10
20
2
178.56
mp-555873
11.022568
8.497722
-4.144986
other
Rb4Mo2As4O18
28
2
506.46
mp-703297
10.102816
2.87585
-4.644784
other
H14S2N4O8
28
2
236.8