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-28490
-4.495558
-3.064648
-3.976054
other
Tl6B2Se6
14
11
402.01
mp-567731
-4.074695
-0.751315
-3.364813
other
Nb12Se40Br12
64
11
1,851.86
mp-604594
-8.319364
-5.291232
3.439223
other
Ce4In10Pd8
22
11
471.06
mp-765152
7.310837
9.231579
-0.092814
other
Ca22Tl18O48
88
11
1,296.32
mp-849736
10.395124
7.966079
-6.839736
other
Mn2P10O30
42
11
612.26
mp-1207879
-5.54913
-1.257504
2.186184
other
U2V10P6
18
11
252.51
mp-1189520
-2.34576
-0.436849
-5.395404
other
Na4P4S12
20
11
485.67
mp-504196
10.799645
8.966249
-5.270963
other
Mo4P4O22
30
11
412.81
mp-22506
-4.4413
-5.762769
0.584959
other
Cs12In2As6
20
11
818.66
mp-1217489
-6.997216
1.484014
-4.205616
other
Tl6Mo30Se38
74
11
1,727.79
mp-1041261
9.914936
7.5999
-5.555135
other
Bi6P6O26
38
11
654.86
mp-29204
13.65626
7.440075
-4.528621
other
P8S12O6
26
11
589.92
mp-1399256
11.659054
11.692061
0.25851
other
Mg4Mn4O8
16
11
169
mp-28327
-0.441961
1.189952
-4.32449
other
Li4Ga4Br12
20
11
548.32
mp-563013
-3.024633
-2.363268
-5.161756
other
Yb6Ce2S12
20
11
511.36
mp-705347
12.004
7.790613
-6.976189
other
Co12P14O48
74
11
858.72
mp-22635
11.745423
12.107317
-0.380188
other
Fe14Si2O20
36
11
401.2
mp-1041792
9.081773
1.28042
-0.500267
other
Y2Fe6F30
38
11
594.33
mp-770073
9.936396
8.528287
3.142534
other
Eu4Y8O16
28
11
417.36
mp-542214
3.895318
2.132898
-4.258002
other
Si12Cl20O14
46
11
1,177.8
mp-752734
8.664693
0.934827
-0.055928
other
Li2Ag4F8
14
11
200.85
mp-1209946
-4.605658
0.08006
-4.690899
other
Nb2Cr2S10
14
11
273.33
mp-1106294
-2.627386
-2.794217
-5.499997
other
La2Tm6S12
20
11
463.71
mp-1326619
8.926371
14.878268
-0.376684
other
Mg4Mn8O16
28
11
320.26
mp-1214085
-6.133914
-1.324432
0.779963
other
Ce4Ni24P10
38
11
493.94
mp-1190077
-3.041984
-2.392089
-5.351292
other
Yb6Nd2S12
20
11
510.4
mp-697144
8.159153
1.197193
-3.922414
other
Rb2H4N2
8
11
121.05
mp-25096
7.985579
11.626237
-0.926047
other
Ni4Bi4O12
20
11
239.42
mp-756437
-0.303214
0.741431
-3.741604
other
Sr2La2Br10
14
11
544.46
mp-30986
10.830612
4.209845
-7.414547
other
Zn6S4O18
28
11
344.57
mp-1246260
1.602408
1.769905
1.271087
other
Sr40Mn8N32
80
11
1,872.51
mp-1095489
7.800259
10.488412
-1.146546
other
Cu4I2O6
12
11
200.42
mp-1106001
3.245366
-0.782232
-2.118612
other
Ba2Re2H14
18
11
180.3
mp-752942
12.416121
11.967846
1.832714
other
Li2Ti4O8
14
11
163.49
mp-1102607
6.979757
10.502851
-1.8337
other
Cu4Cl2O6
12
11
169.27
mp-3439
13.528363
7.388175
-5.590908
other
Sb2P2O8
12
11
164.57
mp-1209747
-6.158012
-1.299734
0.77153
other
Pr4Ni24P10
38
11
490.73
mp-1095632
12.359
10.05386
0.542001
other
Ca4Mo4O4
12
11
213.81
mp-29152
-5.621994
-2.72148
2.857191
other
Zr4Co2P2
8
11
132.76
mp-545482
9.222651
7.44479
-3.287662
other
Pd2Se2O6
10
11
154.68
mp-1190132
10.648383
12.703892
1.843118
other
Li4Ti6O14
24
11
261
mp-1265053
10.343353
0.415141
0.312384
other
Mn6Al4F30
40
11
503.3
mp-1192781
4.62038
2.569021
-3.248737
other
W2C12N8
22
11
431.25
mp-1202988
8.460022
1.017926
1.018911
other
Rb8In12F44
64
11
1,115.7
mp-571599
-6.471357
-4.954271
0.846819
other
Ba2Bi4Pd4
10
11
266.48
mp-1221553
-6.906259
1.418559
-4.122065
other
Na6Mo30Se38
74
11
1,670.61
mp-674492
11.348041
8.834752
0.902756
other
Na4U4O14
22
11
319.95
mp-1206663
7.32171
8.446735
-1.717171
other
Gd2Br2O4
8
11
145.5
mp-1047565
8.320024
1.542897
-0.111209
other
Y2Bi6F30
38
11
712.99
mp-28267
-5.221319
-6.013394
0.646618
other
Na14Al4Sb10
28
11
756.14
mp-626726
10.664852
3.891477
-3.78595
other
Ba2H8O6
16
11
170.03
mp-1397370
12.222865
11.249416
0.523122
other
Mg4Cr4O8
16
11
168.36
mp-1047454
8.617094
1.795942
-0.091899
other
Al2Sn6F30
38
11
573.93
mp-752742
9.690323
0.597841
0.505561
other
Li2Cu4F8
14
11
156.68
mp-643043
10.363752
4.513142
-3.754945
other
Rb2H2O2
6
11
100.09
mp-26944
13.813622
6.925514
-5.914385
other
Sn4P6O20
30
11
449.41
mp-28985
2.15422
2.835247
-4.456083
other
Sb4Se4Cl36
44
11
1,287.16
mp-16864
9.978119
12.292915
-4.038916
other
Rb2V6O16
24
11
330.75
mp-1206208
8.150392
5.72598
-3.597072
other
La2Br2O4
8
11
155.43
mp-1080825
5.385893
3.107837
-3.588949
other
C6N2Cl2
10
11
236.52
mp-1178874
10.521547
8.299017
-4.992191
other
V6H6O18
30
11
341.86
mp-1080180
-7.750693
-4.096538
3.221429
other
Eu2Ge4Pt4
10
11
192.59
mp-30099
1.075505
2.329049
-4.926643
other
Pd12S12Cl12
36
11
826.63
mp-504168
13.34538
7.787645
-7.743975
other
Mn12P14O48
74
11
914.54
mp-1342178
10.684388
9.715652
0.106234
other
Mg4Sb4O12
20
11
245.43
mp-1209948
-4.834473
-1.427839
-2.979508
other
Nb2Fe2Se10
14
11
308.13
mp-31083
-5.355445
-3.150318
5.961928
other
Pr2Si4Ru2
8
11
149.83
mp-722025
5.298587
3.119503
-3.537173
other
C6I2N2
10
11
326.79
mp-1247095
1.587697
1.859274
1.221196
other
Sr6Au2N6
14
11
269.98
mp-1182568
4.915092
3.156326
-3.956263
other
As4S16N12
32
11
829.15
mp-1179552
10.347838
12.702634
-3.86576
other
Sr2V24O60
86
11
1,156.74
mp-22504
-3.304049
-1.815717
-5.745018
other
Eu4Si2S8
14
11
332.01
mp-1223482
-6.906416
1.437372
-4.100665
other
Li6Mo30Se38
74
11
1,608.16
mp-1225399
-8.819622
-5.921744
5.534404
other
Dy6Ni2Pd4
12
11
254.67
mp-1084760
9.366089
6.724585
-3.113751
other
Ca2B2O6
10
11
133.3
mp-1047927
13.43923
9.189471
-6.960334
other
V6P6O26
38
11
498.6
mp-680317
-4.722384
-3.087839
-3.501375
other
Cs4Bi16Se26
46
11
1,506.64
mp-989534
0.900138
2.563202
1.739428
other
La2Mo2N6
10
11
171.56
mp-1189069
-2.677506
-2.81129
-5.524021
other
Nd2Er6S12
20
11
462.36
mp-1101485
12.767919
7.188039
-6.64717
other
Sb2P10O30
42
11
622.1
mp-756704
10.855786
11.597751
3.199005
other
Lu2Ta6O18
26
11
313.73
mp-755705
-1.219603
1.873778
-1.71825
other
Sr2La2I10
14
11
659.76
mp-778995
12.308383
12.750292
2.383835
other
Ti34N12O48
94
11
1,114.81
mp-602355
7.658899
10.284216
-3.795351
other
Cr6H2O16
24
11
364.54
mp-1246392
1.141344
2.169851
1.684789
other
Ca14V6N18
38
11
548.6
mp-27503
9.804455
12.416987
-4.118801
other
Li2V6O16
24
11
268.76
mp-1047928
10.00228
8.315424
-7.008315
other
Mn6P6O26
38
11
477.57
mp-26796
10.578305
7.706766
-6.530243
other
Cu10P6O26
42
11
498.06
mp-28821
-6.172095
-1.2824
0.791582
other
La4Ni24P10
38
11
495.63
mp-1224355
-7.105818
1.540901
-4.25584
other
Mo30Pb6Se38
74
11
1,699.28
mp-1197182
7.519984
7.336486
-4.213746
other
U2S4O34
40
11
688.42
mp-26766
14.669021
8.735214
-4.062108
other
V12P14O48
74
11
880.65
mp-998612
-0.367233
1.145135
-4.526098
other
K2Ge2Br6
10
11
342.76
mp-1198206
2.236558
2.713281
-4.377021
other
Re6N6Cl24
36
11
1,031.6
mp-1225661
11.06648
10.180608
1.927015
other
Dy10Re4O24
38
11
510.96
mp-1079276
-4.414032
-2.59354
-3.525606
other
Li2As2Se4
8
11
174.23
mp-1080049
-6.466497
-6.406204
2.962912
other
Sr2Zn4Sn4
10
11
242.93
mp-818536
7.530264
9.294887
-3.807569
other
Ce2Cr4O20
26
11
433.26
mp-1245409
1.628424
1.749848
1.283445
other
Sr40Zn8N32
80
11
1,883.79
mp-1078398
11.861169
9.031631
1.504646
other
Ce2As2O6
10
11
140.2