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-1213120
11.654343
11.069457
-3.950734
other
Dy4Mo6O24
34
113
568.86
mp-1197851
11.629601
11.144122
-3.998754
other
Tb4Mo6O24
34
113
575.27
mp-4674
8.317076
2.449704
-1.216696
other
B4N4F32
40
113
475.19
mp-1209321
6.735709
6.509695
-3.780948
other
Rb8O16F8
32
113
643.59
mp-12903
-6.104502
-3.606596
-1.692934
other
Y2Ag2Te4
8
113
239.48
mp-637918
-4.692326
-0.013684
3.264266
other
Cr6Ge2N2
10
113
113.97
mp-27767
12.505895
7.339064
-1.001669
other
Li12Si4O14
30
113
296.15
mp-753881
8.516253
1.129031
-0.366264
other
Li2Ag4F12
18
113
247.68
mp-1193913
8.884078
7.957996
-2.79837
other
Li8Si4O14
26
113
327.75
mp-625103
7.54313
8.387341
-2.797652
other
Yb4H4O8
16
113
169.95
mp-28474
6.574004
3.623703
-4.265787
other
S14N12O16
42
113
763.25
mp-764274
10.709296
2.301548
-0.39674
other
V4O4F12
20
113
254.97
mp-675010
1.327494
2.514842
-5.796124
other
Cs2Hg2Cl6
10
113
365.33
mp-1210538
6.318737
6.060475
-3.774181
other
N2Cl2O4
8
113
152.3
mp-1212381
11.665632
11.089097
-3.887595
other
Ho4Mo6O24
34
113
563.17
mp-1079418
8.329053
1.176955
-4.034983
other
Li2H4N2
8
113
59.82
mp-721324
11.598085
11.073654
-3.967329
other
Gd4Mo6O24
34
113
588.85
mp-12904
-6.087873
-3.611674
-1.752035
other
Ho2Ag2Te4
8
113
235.92
mp-1078600
-6.032101
-3.585961
-1.739095
other
Tm2Ag2Te4
8
113
231.7
mp-556422
2.166193
2.886966
-4.425655
other
Nb4Cl12O4
20
113
494.85
mp-27824
2.371073
2.650624
-4.385269
other
P2I2Cl12
16
113
518.17
mp-669387
-5.945292
-1.805743
1.294038
other
Sr4P12Rh14
30
113
507.53
mp-1211969
-3.796796
-1.499786
-5.856367
other
K4Hg12S14
30
113
801.48
mp-12902
-6.103532
-3.57176
-1.735018
other
Er2Ag2Te4
8
113
233.96
mp-4024
-6.076855
-3.631775
-1.752609
other
Dy2Ag2Te4
8
113
238.31
mp-21823
8.560521
12.947175
-0.594867
other
Mn8Pb16O32
56
114
898.17
mp-753868
10.946046
8.665635
-1.502669
other
Sb8O8F8
24
114
478.82
mp-1195987
7.999408
2.356209
-1.046831
other
Te8N10F42
60
114
1,290.44
mp-28782
-2.381723
-0.717435
-5.54401
other
Na6P2S8
16
114
339.26
mp-649331
-7.805304
0.824914
3.962703
other
Sm22Co80B80
182
114
1,913.96
mp-1194666
-4.077859
-2.256419
-3.48856
other
Cs8P8Se48
64
114
2,144.92
mp-27144
13.191987
6.497704
-5.747767
other
Tl8P8O24
40
114
638.72
mp-625541
12.700156
8.550506
-1.687459
other
Sn12H8O16
36
114
570.02
mp-28090
-2.900542
-1.63122
-5.894663
other
Si8H8S12
28
114
552.56
mp-504259
12.452774
8.647982
-6.026758
other
Mo8P18O64
90
114
1,349.48
mp-758873
7.660867
9.452984
-3.957946
other
Cr8O20F8
36
114
661.87
mp-28025
10.426799
4.694941
-6.585257
other
Sn16S8O40
64
114
1,149.64
mp-29051
-1.889454
-0.02739
-4.485562
other
W8S72Cl32
112
114
3,775.17
mp-567252
-4.378043
-1.093346
-3.086742
other
Nb12Se48I4
64
114
1,859.06
mp-4937
6.761077
3.172538
-3.362473
other
S8N8F8
24
114
419.08
mp-504406
9.653543
7.916831
-6.077888
other
Cr8P18O64
90
114
1,222.58
mp-28676
8.856369
4.99543
-5.163065
other
S8O20F8
36
114
519.48
mp-4223
13.272758
5.110083
-6.512747
other
Na24P8O32
64
114
823.59
mp-1101862
5.335977
-0.495537
-2.993803
other
Na2B2H8
12
114
107.39
mp-1201464
-4.642259
-1.724567
-5.631132
other
Cs8Cu40S24
72
114
1,336.41
mp-29143
-3.583995
-0.83698
-5.383447
other
Na24V8S32
64
114
1,430.43
mp-28768
-4.694541
-2.995124
-3.863347
other
Na8Sn2Se8
18
114
485.42
mp-705008
10.770094
9.167075
-7.226374
other
V8P18O64
90
114
1,219.58
mp-1217602
8.395398
7.727629
-3.837418
other
Ti16Si8O68
92
114
1,521.8
mp-27102
8.851922
7.916148
-5.008935
other
Fe8P18O64
90
114
1,283.92
mp-24118
10.485165
3.804378
-4.409106
other
H20S2O16
38
114
346.69
mp-28475
10.889146
6.995045
-2.610973
other
H8Pb12O16
36
114
614.24
mp-768440
-3.851134
-0.539876
-5.422997
other
Li24V8S32
64
114
1,191.84
mp-29628
-3.53706
-1.696279
-5.560821
other
Na8Sn2S8
18
114
425.35
mp-1188228
8.479812
1.594058
0.733599
other
K2Nb2F12
16
116
288.29
mp-1211395
8.410087
1.565666
0.717026
other
K2Ta2F12
16
116
278.93
mp-1106389
8.176508
1.163997
-0.287287
other
K2Bi2F12
16
116
300.92
mp-771570
-1.180958
2.030476
-1.886373
other
Sr8Ca4I24
36
117
1,555.89
mp-772861
-1.202495
1.943957
-1.660595
other
Ba4Sr8I24
36
117
1,639.96
mp-1245683
2.358046
2.37851
1.616559
other
Zn20Si8N24
52
117
717.76
mp-31292
-4.296319
-1.996902
-3.279948
other
Rb4Pd2Se32
38
117
1,157.54
mp-766287
-1.182921
1.924279
-1.80485
other
Ba4Ca8I24
36
117
1,570.82
mp-1246577
2.559546
2.279435
1.627352
other
Mg20Si8N24
52
117
629.01
mp-1245339
0.907011
2.442462
1.915909
other
Co20Si8N24
52
117
546.25
mp-772875
-1.249491
1.929042
-1.587735
other
Ba8Sr4I24
36
117
1,714.03
mp-29273
11.75895
7.459179
-0.909988
other
Ca4Ge14O32
50
117
603.78
mp-29213
11.618468
7.517028
-1.027238
other
Cd4Ge14O32
50
117
595.73
mp-766351
-1.246289
1.907012
-1.63229
other
Ba8Ca4I24
36
117
1,702.97
mp-540812
8.637499
0.876717
1.121226
other
Sr8Cu4F24
36
117
560.39
mp-29345
-1.199646
2.539519
-2.812705
other
Li4Ga4I12
20
11
701.24
mp-1105574
-2.695709
-2.799975
-5.432232
other
Ce2Lu6S12
20
11
450.26
mp-558636
12.221083
7.711279
0.813163
other
Ca2Al4O8
14
11
144.65
mp-1206816
7.533771
7.863119
-3.200159
other
Tb2Cl2O4
8
11
141.08
mp-27887
-3.155612
-4.109
0.802906
other
Ba6Si8P12
26
11
638.25
mp-1182209
7.904701
7.536913
-4.00697
other
Bi2Mo4O20
26
11
390.52
mp-28748
-0.930719
1.091262
-1.648309
other
Y6Ir2I6
14
11
461.95
mp-25266
10.626664
9.096733
-5.292043
other
Mo8P8O44
60
11
838.61
mp-11609
-5.715776
1.265712
-4.976433
other
Sb2Mo4S4
10
11
191.86
mp-541979
-6.380909
-4.884999
0.10286
other
Bi18Rh4I6
28
11
978.01
mp-674298
12.511592
7.54632
0.63467
other
Al44Cd2O68
114
11
1,255.69
mp-1193514
8.694679
10.580413
-4.08177
other
Sr2V6O22
30
11
538.11
mp-38177
-1.115081
2.920407
-2.752857
other
Rb4Zn2I6
12
11
617.37
mp-997082
9.492117
8.680456
-0.716972
other
Bi2Au2O4
8
11
145.64
mp-1078776
-3.982163
-1.670366
-5.419445
other
In2Bi2S6
10
11
254.97
mp-1025511
8.115396
5.698015
-3.663563
other
Nd2Br2O4
8
11
147.46
mp-705013
9.716722
8.827047
-0.796101
other
Cr4Bi32O60
96
11
1,614.9
mp-1078670
6.716851
9.046205
-2.160111
other
Eu2H2O6
10
11
115.1
mp-504372
11.21467
7.775358
-7.134999
other
Ni12P14O48
74
11
845.76
mp-561424
9.015442
0.796883
1.388523
other
K4Al4F16
24
11
326
mp-771877
-1.068771
2.2731
-2.823686
other
Ca6Pb6I28
40
11
1,807.24
mp-625415
11.386177
4.166843
-3.459305
other
Tb2H6O6
14
11
125.92
mp-1245959
0.325301
2.562058
1.897218
other
Mn2Co6N6
14
11
134.05
mp-730271
8.350464
7.649951
-4.449749
other
Cs2P2O8
12
11
264.78
mp-29337
-3.426827
-1.525972
-5.51837
other
Tl6B2S6
14
11
363.97
mp-778999
12.306046
12.755035
2.382317
other
Ti34N12O48
94
11
1,113.39
mp-1204832
-8.320166
-0.093905
2.355612
other
Ga6Ni54B28
88
11
816.68
mp-1104570
-8.366655
-6.166104
2.788937
other
Yb2In8Au4
14
11
332.39
mp-1278452
6.863776
13.585059
-1.508837
other
Na4Co4O8
16
11
174.44
mp-1227455
12.015576
7.118362
-0.46265
other
Be2Ga4O8
14
11
162.05
mp-608469
5.843423
3.39588
-4.705204
other
Co8C32O32
72
11
1,103.48