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-772890
9.084467
6.734425
-3.747532
other
Np4Se8O24
36
14
546.87
mp-753478
7.884928
2.439636
0.949206
other
Bi4O4F4
12
14
200.73
mp-1211219
7.273112
7.428125
-3.926323
other
Np4Cr4O44
52
14
935.05
mp-29945
11.472029
11.019944
-4.041139
other
Tb4Mo8O30
42
14
668.88
mp-767435
13.842867
8.77794
-5.351579
other
P12W8O48
68
14
960.63
mp-1203148
9.412831
7.694809
-5.473083
other
Al4P12O40
56
14
758.68
mp-1222355
9.702761
8.73617
3.111572
other
Li4Nd4O8
16
14
196.85
mp-771750
7.616867
6.590592
-2.960271
other
Sr4I8O24
36
14
615.5
mp-1209161
1.088551
1.788512
-5.398304
other
Rb4Sr8Cl20
32
14
915.37
mp-1201391
5.78834
5.169425
-4.261076
other
Rh4N20O28
52
14
840.69
mp-5680
13.016932
6.147802
-6.616152
other
Ca8P16O48
72
14
915.7
mp-989632
0.926145
2.402027
1.731983
other
La4Os4N12
20
14
339.37
mp-27312
8.318455
1.998612
-0.547527
other
Nb8Se4F56
68
14
1,084.49
mp-17446
8.361733
1.67304
-0.059201
other
Pr4Pt4F28
36
14
549.78
mp-5818
-3.648432
-1.726888
-5.543148
other
Tl16Sn4S16
36
14
1,064.92
mp-859100
9.407868
0.736778
-0.349865
other
Li8Cu4F20
32
14
430.03
mp-15483
11.375235
7.296071
-4.119336
other
Zn12As8O32
52
14
638.15
mp-1200664
7.387706
9.008415
-3.769468
other
Sr4Cr8O40
52
14
937.4
mp-728935
5.532398
3.27347
-4.676437
other
Os12C48O48
108
14
2,194.31
mp-21759
13.022768
10.470537
-0.074448
other
Mo20Pb4O32
56
14
852.82
mp-754219
8.519821
14.043925
0.105282
other
Li12Mn4O12
28
14
277.67
mp-755362
-3.507536
-4.332615
-4.292187
other
Sm8Se8O4
20
14
450.51
mp-558696
10.109761
9.594184
-2.109654
other
Cu4Te4O12
20
14
294.98
mp-625873
8.216
5.164038
-3.706522
other
Ba4H8O16
28
14
339.2
mp-997001
7.909885
9.714829
-1.707839
other
Ag2Hg2O4
8
14
129.63
mp-1203336
7.362895
6.632329
-3.319362
other
La4I16O48
68
14
1,135.62
mp-30937
6.603263
5.958731
-3.627579
other
Hg8Cl8O24
40
14
781.05
mp-1106304
6.514682
11.451626
0.608425
other
Tm4Ni4O12
20
14
211.53
mp-1120745
9.136599
1.964797
1.590977
other
Na4Ti4F16
24
14
317.97
mp-1191552
-4.982772
-0.894455
-4.96144
other
Fe8Ag4S12
24
14
448.54
mp-625174
9.069515
5.120862
-4.082918
other
H20I4O24
48
14
472.82
mp-30039
-5.294014
-5.950854
0.578463
other
Na16Al16Sb24
56
14
1,583.29
mp-29128
10.292922
9.136639
-2.03899
other
K8Te16O36
60
14
1,027.23
mp-1247387
2.843579
2.100918
0.073249
other
Li12C4N8
24
14
218.46
mp-1198568
7.143024
4.172384
-5.615883
other
Sc4C12O24
40
14
657.78
mp-1200492
1.260062
2.390844
-3.723042
other
Sb8I36N12
56
14
2,181.25
mp-565590
-4.72905
-1.386009
-5.776735
other
Cu32Ge8S32
72
14
1,280.03
mp-558383
9.373448
1.67695
1.701969
other
Na4Cr2F8
14
14
175.1
mp-1043651
7.19826
9.123058
-2.283223
other
Bi4Sb4O20
28
14
509.24
mp-1200325
6.767947
7.243678
-3.950266
other
Zn8N8O40
56
14
764
mp-21622
-4.702752
-5.509537
0.360956
other
Na24In8As16
48
14
1,135.67
mp-561456
-4.186376
-1.383739
-5.367865
other
Na12Fe4S12
28
14
612.78
mp-570360
-1.044394
1.586696
-1.795968
other
Rb4Nd8I20
32
14
1,246.89
mp-5299
8.133128
10.639735
1.888824
other
La8Ru4O20
32
14
429.52
mp-1204849
7.637319
6.538159
-4.466319
other
Mg4B12O52
68
14
942.22
mp-541692
-5.39395
-5.958861
0.447029
other
Na16In16Sb24
56
14
1,806.21
mp-759140
9.98928
0.325256
-0.182085
other
Li8Mn4F24
36
14
390.31
mp-17100
13.71052
6.796702
-5.583529
other
In8P8O28
44
14
644.17
mp-1201962
-5.726583
-3.904685
-1.82076
other
Dy16Te12N8
36
14
935.49
mp-1189263
6.222262
5.115951
-4.532122
other
Pd2N4O12
18
14
240.42
mp-770887
7.880187
9.829874
-3.829632
other
Be4Cr4O16
24
14
321.71
mp-29080
-0.23106
0.992304
-4.16298
other
Na6Y2Br12
20
14
591.22
mp-1200799
8.181364
6.674228
-4.951376
other
Ca8P8O44
60
14
936.68
mp-581864
-4.441667
-2.714112
-3.528352
other
Cs8As8Se16
32
14
1,132.01
mp-29692
-3.579467
-1.232123
-5.360035
other
K8Te4S12
24
14
776.4
mp-540338
10.231984
8.185378
-7.01505
other
Mn4P8O28
40
14
539.35
mp-1212349
9.040916
6.973557
-3.789719
other
In8Se12O48
68
14
1,005.31
mp-22963
-0.570286
1.205953
-4.32536
other
K4Te2Br12
18
14
627.76
mp-16461
12.228707
6.62476
0.231494
other
Gd8Si8O28
44
14
540.59
mp-773498
9.475398
8.904173
0.058245
other
Na24Sn8O28
60
14
967.09
mp-770885
8.579659
12.606414
-0.292838
other
Li12Fe4O12
28
14
297.95
mp-709098
5.182913
2.871924
-3.867179
other
H32C16S48
96
14
1,928.37
mp-28805
-4.358486
-1.314839
-4.336612
other
Tl4Pt10S12
26
14
546.92
mp-1120794
9.07653
1.8047
1.577681
other
Na8Ti4F20
32
14
411.91
mp-768936
10.179241
4.587327
-7.115644
other
Sn8S12O48
68
14
1,018.71
mp-772105
10.550659
10.566248
3.448067
other
Li8Zr8O20
36
14
446.57
mp-29173
9.161332
8.144355
-4.079244
other
V8Se12O44
64
14
877.98
mp-768873
11.687703
7.532534
0.524561
other
Y8Ge4O20
32
14
430.44
mp-851075
12.069697
12.620652
-2.319905
other
Li16V20O48
84
14
1,062.9
mp-771241
11.136028
11.805815
2.848415
other
Ta12Ag4O32
48
14
619.44
mp-573073
8.805985
0.430954
0.564993
other
Cs14Cu12F38
64
14
1,124.78
mp-779125
13.115558
6.532198
-6.868868
other
Dy4P20O56
80
14
1,024.29
mp-1199882
7.660037
10.094986
-3.625401
other
Cr4Cu8O24
36
14
427.96
mp-28176
1.897291
2.650728
-4.68924
other
Te8Pd4Cl40
52
14
1,789.54
mp-752730
10.363798
7.903737
1.209671
other
Ba8Ge4O16
28
14
483.33
mp-755777
11.260225
8.220872
2.972542
other
Ce8S8O4
20
14
425.85
mp-768378
-0.146517
0.767544
-3.747222
other
Ba8Y4Br28
40
14
1,658.32
mp-1228324
-4.909027
-6.134691
0.726323
other
Ba12Na8Sb16
36
14
1,328.06
mp-3397
9.803949
9.905011
2.886134
other
Ba8Ti4O16
28
14
504.55
mp-685446
12.995155
10.567503
2.313239
other
Ba4Nb32O56
92
14
1,223.57
mp-1205143
8.454445
10.2924
-3.835093
other
Mn10As4O32
46
14
566.85
mp-1195033
-4.573755
-2.784148
-3.368515
other
Ba12Nb8Se36
56
14
1,660.89
mp-607267
1.380154
2.321562
-5.374301
other
K4Pb8Cl20
32
14
890.57
mp-31037
-5.808763
-2.626836
-2.396244
other
Cu4Te8I4
16
14
530.67
mp-777829
12.108868
1.149282
2.596483
other
Fe10O4F16
30
14
374.17
mp-1245450
1.297552
2.050355
1.423451
other
Ca32Mn12N36
80
14
1,259.55
mp-36345
-4.878499
-1.026108
-4.922162
other
Fe2Cu6S16
24
14
373.24
mp-27135
12.47753
6.723335
-6.595646
other
Bi4P12O36
52
14
678.84
mp-4758
8.635337
1.549043
0.957703
other
K8Nb4F28
40
14
621.3
mp-1041702
11.387818
9.379798
-3.912641
other
Mo6As8O32
46
14
679.21
mp-779159
7.87991
9.83511
-0.277985
other
Na32Cu8O28
68
14
921.69
mp-638022
-3.391754
-1.716947
-5.398657
other
Sb32Pb40S88
160
14
4,226.55
mp-768954
1.13041
1.615581
-5.118324
other
Ba8Y4Cl28
40
14
1,137.56
mp-1048331
13.693861
8.637529
-5.48059
other
Mo4P8O28
40
14
577.51
mp-1041019
10.177899
10.699645
-3.322494
other
Cu8Re8O32
48
14
783.42
mp-27773
9.094812
5.117218
-4.089345
other
H20I4O24
48
14
443.51
mp-504591
10.966427
10.990596
-2.07861
other
Pb4W4O16
24
14
363.3
mp-754714
10.293807
0.834955
1.501888
other
Li4Mn2F8
14
14
177.63
mp-1212521
-2.394163
-2.141147
-5.502042
other
Gd4S4Br4
12
14
320.43
mp-766332
-1.189099
1.917477
-1.782278
other
Ba4Ca8I24
36
14
1,555.47