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-753587
8.694905
3.513824
-7.52494
other
Li4V4C8O24
40
4
405.14
mp-1190083
8.895919
8.21631
-5.261887
other
V2Cd2P2O14
20
4
276.7
mp-1222793
8.050524
7.495835
-4.917228
other
Na2Ni8P8O44
62
4
887.06
mp-557728
-4.500095
-1.49695
-5.506788
other
K2Cu8As2S8
20
4
395.18
mp-1221345
12.726304
5.340891
-5.806546
original
Na4P2H2O8
16
4
190.48
mp-1228642
1.176349
2.03429
1.430101
other
Ba18Ca6Mo8N32
64
4
1,305.53
mp-777651
11.246974
7.572264
-2.465139
other
Li6Co4Si4O16
30
4
353.62
mp-1180510
4.236434
2.665447
-3.500481
other
Mn2C8Br6N2
18
4
614.44
mp-26209
12.62859
6.445507
-6.344248
other
Li2Bi2P4O14
22
4
325.48
mp-1229318
10.267794
4.470804
-4.280035
other
Al4H60Se6O56
126
4
1,293.15
mp-1147617
-2.462505
-0.477395
-5.552817
other
Li24Zn12P16S64
116
4
2,505.25
mp-1200819
-4.658943
-2.804513
-3.568345
other
K8Fe4Ge12Se32
56
4
1,699.07
mp-1177998
13.746498
8.054764
-0.87732
other
Li8Fe4Si4O16
32
4
367.27
mp-753415
13.275459
7.725665
-7.046382
other
Li2Fe4P4O16
26
4
367.01
mp-758277
13.612835
7.204293
-0.789171
other
Li4Cr2Si6O16
28
4
354.46
mp-1298606
10.32078
2.075716
1.0961
other
Li8V4O4F16
32
4
377.66
mp-757788
14.426388
7.809637
-5.220401
other
Li2Nb2P8O24
36
4
459.58
mp-1225245
-6.199608
-0.058041
3.343606
other
Fe2Mo12Rh6N4
24
4
314.58
mp-19049
10.913057
10.392117
-3.410649
other
Ba2Te2Mo4O18
26
4
389.79
mp-780787
8.596088
12.538639
-0.262046
other
Li16Co2O10F2
30
4
293.82
mp-26143
11.27417
8.004462
-7.914546
other
Li6Mn6P8O32
52
4
630.9
mp-1177522
8.838212
3.385204
-7.556542
other
Li6V4C8O24
42
4
474.11
mp-1638861
8.9196
3.381195
-7.69785
other
Li8V4C8O24
44
4
534.87
mp-850103
12.686891
12.747972
-0.648601
other
Li8V10Fe4O24
46
4
456.86
mp-1105239
-4.151935
-2.52935
-3.291233
other
Dy2Tl2P4Se12
20
4
548.74
mp-1215111
7.598232
7.790936
-3.807887
other
Ag6Te2As4O28
40
4
596.94
mp-1041307
12.651683
10.35893
0.370007
other
Ho2Zn2W4O12
20
4
253.12
mp-699937
9.285061
1.093093
1.401411
other
K16Mn16Be24F96
152
4
2,146.38
mp-861938
-3.171919
-1.887566
-5.737532
other
K2La2Si2S8
14
4
367.79
mp-1227821
7.661112
8.121917
-3.834921
other
La4Te2Mo12O70
88
4
1,467.08
mp-778881
14.060162
7.490919
-7.122619
other
Li20Mn8P12O48
88
4
998.84
mp-1200244
6.114402
5.252057
-4.333705
other
Sb2N12O18F6
38
4
725.8
mp-985571
8.24497
3.709036
-6.421047
other
Li2Ag2C4O8
16
4
200.82
mp-559727
11.36831
7.873349
-2.549002
other
Tl4Cu2As2O8
16
4
298.71
mp-753960
9.782024
5.470994
-4.462891
other
Li4H4Se2O10
20
4
244.39
mp-1189372
8.385347
2.128992
-1.504423
other
Te2H4N2F10
18
4
257.89
mp-759161
8.365952
0.733861
-4.419999
other
H42C12N4Cl6
64
4
666.25
mp-757113
12.639018
6.734695
-1.202328
other
Li4Si6Ni2O16
28
4
342.48
mp-1199448
9.225991
6.915763
-3.340282
other
Ca4Al8Si8O48
68
4
1,038.43
mp-673070
13.641695
5.715513
-7.474547
other
Li2Nb2P4O16
24
4
317.22
mp-1222730
11.721365
7.604338
1.380206
other
Na4Ca34Al24O72
134
4
1,830.93
mp-1222546
9.27853
12.101073
-0.812088
other
Li4Cu4Sb4O16
28
4
319.91
mp-8491
13.033689
6.027327
-6.92644
other
Li2In2P4O14
22
4
290.42
mp-1227119
12.008763
7.523189
1.236599
other
Ca2Y2Al6O14
24
4
307.84
mp-26629
14.605206
7.745473
-5.136583
other
Li2Ti2P4O14
22
4
273.55
mp-1180522
7.88383
5.455092
-5.874994
other
Na2Co8C6O30
46
4
541.49
mp-18987
14.452473
8.407629
-5.277819
other
Li2Mo2P4O14
22
4
291.23
mp-1360721
12.391226
10.703654
-1.306424
other
Ca4As4W4O20
32
4
491.66
mp-707981
11.104733
4.335959
-3.583605
other
Y8H18N2O26
54
4
569.24
mp-1202433
7.963344
1.825596
-4.42235
other
H20C8S8N12
48
4
657.87
mp-560173
12.901605
6.256035
-0.374575
other
K12Al12Si12O48
84
4
1,202.05
mp-1226305
12.381939
7.638447
-6.770427
other
Co2Ni4P4O16
26
4
291.5
mp-1649939
8.011251
4.238391
-7.041151
other
Li4Mn4C8O24
40
4
497.96
mp-1176907
13.142262
7.475418
-7.735169
other
Li14Mn8P16O56
94
4
1,086.09
mp-21176
-4.679357
-3.2208
-3.435802
other
K2Ce2Ge2Se8
14
4
430.03
mp-776147
6.794168
13.221114
-1.374494
other
Li8Ti4Fe12O32
56
4
599.06
mp-1181503
4.04109
2.700447
-3.564873
other
Hg4C16Br12N4
36
4
1,445.61
mp-1199492
9.206281
2.083799
-2.976142
other
Ti4H22N16F24
66
4
758.3
mp-1361638
12.273963
7.616391
-3.862914
other
Zn4Sn4As4O20
32
4
479.66
mp-1197471
8.141729
2.051766
-0.658134
other
Li2As2Xe6F24
34
4
721.7
mp-1147605
-2.461217
-0.477132
-5.553915
other
Li12Zn6P8S32
58
4
1,240.36
mp-780336
13.026622
8.104152
-7.720164
other
Li6Cr6P8O32
52
4
583.77
mp-758035
14.709645
7.852482
-4.649845
other
Li6Ti6P8O32
52
4
638.03
mp-1221444
6.731863
5.934058
-3.384176
other
Na4Br2Cl2O12
20
4
307.12
mp-1194292
8.093466
6.664874
-5.037368
other
Li4S4N4O16
28
4
444.59
mp-764344
13.740743
7.989642
-0.874256
other
Li8Fe4Si4O16
32
4
350.62
mp-762595
5.815024
12.301007
-1.75004
other
Li8Fe12Co4O32
56
4
569.96
mp-10517
13.94834
5.43115
-7.102134
other
Li2Sc2P4O14
22
4
287.71
mp-32080
12.622511
8.673223
-6.00604
other
Li4Mo8P12O52
76
4
1,175.81
mp-849474
8.367915
14.808187
-1.072056
other
Li4Mn10Cu4O24
42
4
453.7
mp-763540
7.969975
4.76274
-6.464153
other
Li2Ni2C4O12
20
4
236.03
mp-1189889
8.094947
6.870168
-4.631023
other
V2P2N2O12
18
4
295.56
mp-1194584
9.546229
8.061127
-2.950646
other
Hg6Te4Se2O20
32
4
518.91
mp-1181168
12.142303
4.970835
-5.141086
other
K8P8H16O32
64
4
822.85
mp-849953
8.849997
14.696707
-1.162014
other
Li8Mn12V4O32
56
4
605.59
mp-775227
8.005685
13.788806
-0.97002
other
Li8Fe10Co4O24
46
4
451.38
mp-1232407
7.143363
0.198906
-4.122898
other
Li6B6H32N4
48
4
420.87
mp-1199879
4.747051
2.697167
-3.440968
other
Hg2C12N24Cl6
44
4
862.87
mp-758565
8.36516
3.81123
-7.334453
other
Li6Fe4C8O24
42
4
552.77
mp-1229086
9.671852
4.964612
-6.150388
other
Ag4S4O12F4
24
4
356.63
mp-1101539
13.785569
8.544259
-6.556794
other
Li8Mo4P8O32
52
4
639.21
mp-772539
14.510715
7.596314
-6.257989
other
Li16Fe8P16O56
96
4
1,188.45
mp-9427
13.841769
5.169641
-6.842456
other
Na2Y2P4O14
22
4
321.41
mp-1237561
5.998518
5.316461
-4.110697
other
Y2Tc4Cl16O18
40
4
963.81
mp-1019808
13.816276
4.257104
-2.236886
other
K6Be12B18O42
78
4
891.85
mp-758434
11.414211
7.427043
-2.313109
other
Li4Fe4Si4O16
28
4
335.32
mp-1224597
11.866372
7.677798
-4.091914
other
K8Nb8As8O44
68
4
1,084.21
mp-763567
8.632328
3.538113
-7.527363
other
Li4V4C8O24
40
4
477.76
mp-24165
9.755064
5.450763
-4.463759
other
Li4H4Se2O10
20
4
238.02
mp-17128
13.160634
5.933246
-6.726134
other
Cs2Tb2P8O24
36
4
565.89
mp-1229304
8.306118
1.254458
-3.992466
other
Cu14H18S8N8
48
4
576.64
mp-26056
11.878066
7.508508
-7.719156
other
Li12Fe4P8O32
56
4
688.94
mp-753220
12.960343
6.975128
-1.100896
other
Li8Co4Si8O24
44
4
507.37
mp-1225027
-6.32518
0.07054
3.368311
other
Fe6Ni2Mo12N4
24
4
299.53
mp-1224588
9.072911
2.654349
-4.835661
other
H12C4N4O8
28
4
263.32
mp-1216863
10.46629
9.894985
0.923571
other
Ti2Nb2Bi6O18
28
4
381.78
mp-763588
8.075136
4.284981
-7.049261
other
Li2Fe2C4O12
20
4
238.47
mp-772982
11.084602
12.997137
1.066641
other
Li6Ti12Co6O32
56
4
604.46
mp-1359041
12.67452
7.948345
-3.13427
other
Ca4Ti4As4O20
32
4
441.19
mp-757616
13.52704
6.729908
-6.341297
other
Li2Sn2P8O24
36
4
566.46