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-555924
10.892707
10.984332
3.000893
other
Ca20Nb20O68
108
14
1,420.72
mp-727913
11.259538
6.994687
-0.615095
other
Y12Si12O44
68
14
878.93
mp-756241
5.796352
8.831691
-1.045851
other
Pr4Bi4O16
24
14
352.27
mp-541158
-1.394891
1.837371
-2.524733
other
Nb12S4I28
44
14
1,603.42
mp-1193155
9.081487
8.189827
-6.099899
other
Co6P4O20
30
14
346.86
mp-1042875
9.047478
7.952803
-4.521219
other
Mn4As8O28
40
14
599.43
mp-1178757
6.646361
6.073552
-3.665613
other
Y4Br12O32
48
14
839.68
mp-505088
-5.488809
-2.152714
-1.787266
other
Nb8Te32I8
48
14
1,700.52
mp-1210130
6.915496
7.134588
-3.640179
other
Ni2I4O20
26
14
382.38
mp-4549
2.619217
2.150849
1.650863
other
Sr4Si4N8
16
14
221.01
mp-1179370
12.089271
7.506699
-4.248956
other
Sn4As4O16
24
14
375.34
mp-1222829
-3.286584
-3.372759
-4.526111
other
La4Se4S4
12
14
294.99
mp-569085
-0.002358
1.757289
-3.990987
other
Li12Br6N2
20
14
349.53
mp-780003
13.615191
5.47427
-6.871884
other
La8P16O52
76
14
1,288.91
mp-778262
11.269503
11.201942
-2.685183
other
Gd8W16O60
84
14
1,212.36
mp-1203779
8.218842
9.259592
-3.769529
other
La4Re12O64
80
14
1,421.32
mp-1212533
-5.606179
-3.672402
-1.489348
other
Rb4Ce12Te32
48
14
1,671.37
mp-1218308
-4.19916
-0.869513
-3.257674
other
Ta16Se64Br8
88
14
2,508.76
mp-1203448
11.382398
11.004604
-3.929067
other
Y4Mo8O30
42
14
699.3
mp-1203500
-3.713956
-1.532678
-5.822096
other
Ca8Ga16S32
56
14
1,269.76
mp-1178143
9.59496
8.801055
0.508222
other
K4Zn4O6
14
14
207.95
mp-1226106
-5.362886
-0.955451
-3.79212
other
Co2Rh2S8
12
14
180.36
mp-504826
5.7125
3.451728
-4.102912
other
S16N16O8
40
14
763.96
mp-1212380
7.689029
6.750269
-4.400443
other
Mg4B16O64
84
14
1,011.88
mp-729795
4.653219
2.645416
-3.520042
other
C28I12N16
56
14
1,565.22
mp-556214
13.811875
4.22315
-2.310828
other
Ca8B32O56
96
14
948.8
mp-1188594
8.287858
9.154125
-3.179744
other
Cu4Te2O12
18
14
214.13
mp-569467
-5.820556
-2.990398
-2.896603
other
Ag80Te32Cl16
128
14
3,057.8
mp-555128
8.800812
1.353927
-4.439198
other
H32C12O8
52
14
472.64
mp-15059
8.608611
1.445596
0.813142
other
Gd4Sn4F28
36
14
540.27
mp-641917
12.721147
6.522742
-0.903422
other
Zn8Si8O24
40
14
457.49
mp-1194866
-3.408808
-4.39419
0.611373
other
Ca12Si8P16
36
14
788.56
mp-555848
8.048141
0.626924
-4.423381
other
H32C12S8
52
14
619.74
mp-28359
9.716831
1.813244
1.919347
other
Ba8Fe12F40
60
14
897.9
mp-1210601
7.562944
7.14741
-4.65667
other
P8N12O32
52
14
892.79
mp-1095584
-5.251791
-1.380279
-2.373986
other
P4Ru4S4
12
14
180.34
mp-1394099
10.179589
10.860978
-3.44415
other
Mo2W2O12
16
14
221.94
mp-726111
6.246955
5.89065
-4.453078
other
Mg2N4O16
22
14
284.36
mp-30229
-0.240466
0.429033
-3.297286
other
Tb20C8Br36
64
14
1,887.4
mp-1195965
5.569348
5.016453
-4.088068
other
Au4Cl16O12
32
14
887.2
mp-3635
13.718731
4.439989
-2.492433
other
Li4B4O8
16
14
146.98
mp-694554
11.735946
8.002848
-8.157175
other
Mn6P8O28
42
14
504.73
mp-29276
13.080219
6.520551
-6.394631
other
Cd4P12O34
50
14
707.34
mp-28684
8.090401
2.111007
-0.910478
other
Sb14Se16F70
100
14
1,872.39
mp-29759
8.379725
2.33774
-0.712428
other
V4Xe8F68
80
14
1,341.12
mp-541090
9.353636
6.910226
-3.636436
other
Ce4Se8O24
36
14
530.46
mp-559796
10.848499
10.887203
-4.000833
other
Al16Mo24O96
136
14
2,146.11
mp-770844
14.345681
9.115383
-2.782069
other
V12P8O32
52
14
642.12
mp-755292
9.928478
8.211645
-0.455345
other
Cs8Be4O8
20
14
440.74
mp-818400
7.275676
7.328071
-3.970694
other
Fe4S4O24
32
14
611.94
mp-776479
-1.245473
1.938097
-1.722287
other
Ba8Y8I40
56
14
2,588.39
mp-1195247
8.315281
2.070353
-0.706455
other
Hg4As4F28
36
14
534.09
mp-4136
14.181377
7.013587
-4.508573
other
Ce4P4O16
24
14
300.82
mp-754272
8.764891
8.569242
0.036345
original
Cs4Ba4O6
14
14
413.24
mp-690058
9.266583
7.954548
-5.702473
other
Fe4P8O28
40
14
509.8
mp-1180243
4.815169
2.415745
-3.293984
other
Na4C8N12
24
14
353.62
mp-753115
10.600507
0.012968
0.3004
other
Li4Mn4F16
24
14
295.19
mp-27557
8.680155
10.465247
-0.083355
other
Na32Fe8O28
68
14
894.06
mp-31370
9.436409
4.830273
-5.998503
other
Na16S16O40
72
14
1,136.56
mp-766288
-1.242844
1.914966
-1.615882
other
Ba8Ca4I24
36
14
1,569.49
mp-1210463
9.242619
0.520569
0.30326
other
Na6Cu2F12
20
14
236.36
mp-1178463
10.008204
8.106774
-0.366402
other
Cs16Si4O16
36
14
854.61
mp-759527
10.548061
0.128096
0.178084
other
Li4Mn8F28
40
14
540.32
mp-9209
11.359712
4.32253
-7.7068
other
In8S12O48
68
14
899.15
mp-28381
9.109272
8.451074
-0.074713
other
Cs12In4O12
28
14
711.02
mp-752539
8.785529
8.587908
0.036467
other
Cs4Ba4O6
14
14
408.93
mp-1210351
-0.261685
1.077438
-4.409062
other
Na6Yb2Br12
20
14
617.7
mp-755042
9.949673
14.981579
-1.452798
other
Mn6O8F4
18
14
196.15
mp-1196229
10.572845
7.675625
2.156281
other
La26B8O52
86
14
1,305.87
mp-974757
3.478595
-0.601728
-2.548946
other
K4Be4H12
20
14
328.1
mp-767527
-5.47153
-5.398664
0.373738
other
Li12Sb6S2
20
14
421.11
mp-776098
10.353556
0.214415
0.466618
other
Li12Mn4F24
40
14
469.15
mp-554689
9.804794
0.457542
-0.745971
other
Li2Co2F8
12
14
134.41
mp-733481
6.411204
0.348921
-3.521425
other
B32H40N4
76
14
931.68
mp-1192943
7.022053
7.219597
-3.677732
other
Mg2I4O20
26
14
387.69
mp-1200737
5.475093
2.708247
-3.359088
other
Cr4C128O20
152
14
2,637.25
mp-1214118
8.16024
2.680477
-2.116777
other
C8S4F24
36
14
496.89
mp-30198
9.668518
8.42289
1.899779
other
Ba24Ga12O42
78
14
1,396.96
mp-556869
10.749389
9.15335
-0.838373
other
Sb20I4O28
52
14
1,077.51
mp-28444
12.297133
7.790505
-1.823028
other
Fe6Si4O16
26
14
297.03
mp-756474
9.052875
8.534922
0.314847
other
Rb12Y4O12
28
14
667.93
mp-13230
8.226293
0.915676
1.702274
other
K6Y2F12
20
14
367.95
mp-505185
10.604658
3.576906
-4.075383
other
Na8H64O36
108
14
930.75
mp-1043041
11.556653
7.504056
-1.119941
other
Sn4Ge8O24
36
14
478.15
mp-768992
7.432276
10.789384
-0.874019
other
Li12Bi4O14
30
14
347.62
mp-30054
4.743486
2.970803
-3.87328
other
C8S16N8
32
14
807.47
mp-1003320
8.442342
14.700738
-1.14986
other
Ca4Mn16O32
52
14
610.42
mp-625108
9.543186
3.614574
-3.984825
other
H20N4O8
32
14
296.72
mp-540379
13.133317
6.850365
-6.541472
other
Sb4P8O28
40
14
589.97
mp-29139
-4.661133
-2.435249
-3.9291
other
Na4Au4Se8
16
14
387.43
mp-773910
11.262441
7.807201
1.320929
other
Er8Ge4O20
32
14
421.79
mp-752872
10.839305
8.061937
-7.192764
other
Fe4P4O16
24
14
335.39
mp-557997
9.576148
6.837426
-3.575232
other
Ca4Se4O12
20
14
284.23
mp-768965
1.156101
1.786033
-5.229373
other
Ba8Y8Cl40
56
14
1,716.66
mp-768457
9.976304
4.836275
-6.793373
other
Sb8S12O48
68
14
973.1
mp-752565
8.711745
0.951341
-0.135517
other
Li4Ag8F16
28
14
411.14
mp-16673
12.899022
10.38668
0.152062
other
Sm4Mo20O32
56
14
789.71
mp-770075
8.501403
9.137952
-0.239887
other
Rb20Fe4O16
40
14
973.7
mp-756459
9.113091
8.506299
0.164037
other
Cs12Tm4O12
28
14
737.05
mp-753477
-3.71714
-1.515187
-5.49706
other
Li12Bi4S12
28
14
570.8