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-779317
10.473289
0.816671
1.609657
other
Li12Mn12F36
60
14
803.43
mp-1368955
8.193723
13.327825
-0.973177
other
Li12Cr4O14
30
14
269.63
mp-777481
-0.087154
0.92513
-3.800432
other
Ba24Y4Br60
88
14
4,662.29
mp-759600
10.648273
0.066954
0.781653
other
Li8Mn8F28
44
14
563.82
mp-763259
14.319621
7.75157
-6.993977
other
Mn6P4O16
26
14
346.16
mp-1199594
8.170536
6.348883
-5.310557
other
Rb8S8O32
48
14
907.31
mp-1196724
2.400128
2.889305
-4.379271
other
Mo8Cl40O8
56
14
1,736.57
mp-1199212
8.293376
2.060832
-0.793993
other
Hg4Sb8F52
64
14
1,037.75
mp-1200656
5.82429
5.131041
-4.298307
other
Ru8N40O48
96
14
1,838.27
mp-766118
9.998839
7.677159
-5.975117
other
Bi4P8O28
40
14
602.48
mp-1041349
8.247216
1.195943
-0.206912
other
Ba4Bi4F28
36
14
622.39
mp-27753
-2.573818
-0.504374
-5.336425
other
In8P12S36
56
14
1,319.25
mp-1247358
1.745055
2.21355
1.47947
other
Li12Zr4N8
24
14
357.45
mp-30990
11.315791
7.180401
-0.37687
other
K12Si4O14
30
14
509.07
mp-1188134
6.351663
9.009033
-2.509739
other
Mg2Si2O12
16
14
205.8
mp-1226309
-5.351635
-0.628501
-5.421952
other
Cr2Cu2S8
12
14
191.51
mp-553981
9.451366
0.293173
0.640433
other
Rb4Mn4F16
24
14
364.02
mp-779264
9.668809
8.521556
0.375579
other
Cs24Hf12O36
72
14
1,960.95
mp-729516
8.941334
7.870403
-4.324562
other
Ag8As8O28
44
14
614.87
mp-1209701
7.528999
5.920393
-3.463731
other
Rb8Mo4O32
44
14
762.72
mp-561545
13.874443
7.188389
-5.005164
other
Sn16P8O36
60
14
1,019.44
mp-505085
9.394265
0.556116
0.360414
other
Na4Cu4F12
20
14
229.35
mp-14686
-5.019288
-3.646252
6.080979
other
Y10Si28Os8
46
14
808.1
mp-1203548
8.628794
7.010358
-3.754416
other
Cd6Se8O24
38
14
618.45
mp-755937
8.602496
10.661633
-2.793462
other
Cr4Bi4O16
24
14
345.07
mp-18702
12.580709
6.905367
-5.693048
other
Ag8P8O24
40
14
523.54
mp-569421
-0.703497
1.77291
-3.91814
other
Hg36P20I24
80
14
2,522.5
mp-669313
-3.376835
-0.745997
-4.892561
other
Cs12Nb8S44
64
14
1,966.12
mp-757407
7.239493
9.020401
-0.179698
other
Sr8Tl8O20
36
14
567.46
mp-570248
5.558664
2.329976
-3.240241
other
Na12C24N36
72
14
885.22
mp-568543
-4.644923
-2.931749
-3.833827
other
Na8Sn4Se12
24
14
675.39
mp-574138
-5.887047
-3.533797
-1.6674
other
Cs8Te12As4
24
14
1,064.18
mp-754005
8.427668
3.804548
-6.433623
other
Mg2C4O8
14
14
146.85
mp-755326
10.136475
11.191428
0.911508
other
Sr6W2O12
20
14
296.81
mp-28716
1.430313
2.242666
-5.477174
other
Na4Cr2Cl8
14
14
328.78
mp-626869
9.226912
5.22421
-4.306579
other
H8W4O20
32
14
335.85
mp-29514
8.386785
2.266764
-1.340262
other
P4H4F16
24
14
291.49
mp-1194227
9.253173
3.480242
-5.199944
other
H12C4O12
28
14
253.64
mp-16557
8.992667
0.967054
1.355047
other
Sr8Al8F40
56
14
700.07
mp-2647155
5.44115
-0.442445
-3.078447
other
Eu4B8H32
44
14
453.59
mp-28566
-4.651863
-1.942714
-3.358938
other
Na8Ti8Se32
48
14
1,188.57
mp-1181528
12.752446
6.4133
-0.689707
other
Mg8Si8O24
40
14
516.87
mp-555144
8.940054
0.958249
1.469508
other
Ba8Al8F40
56
14
802.23
mp-29758
8.466321
2.070571
-1.009953
other
Co2As8F36
46
14
635.35
mp-1179410
-0.547598
1.25206
-4.431776
other
Tc16Br28O4
48
14
1,917.65
mp-766033
9.006328
7.912897
-5.594035
other
Co4P8O28
40
14
548.11
mp-735132
8.947542
7.557477
-4.897539
other
Na8P8O28
44
14
682.29
mp-29567
-4.485207
-2.112278
-3.671437
other
Cu4Se8Br4
16
14
424.06
mp-1204490
10.755322
12.033384
2.310811
other
Nb8Cu4O24
36
14
426.17
mp-759750
7.658304
2.468808
0.967033
other
Bi12O12F12
36
14
658.99
mp-26632
10.314594
8.347511
-7.252834
other
Mn4P8O28
40
14
470.42
mp-1372040
8.672418
1.159464
-0.415573
other
Zn4Ag4F20
28
14
403.9
mp-8086
9.73605
9.055375
0.357815
other
Na4Zn4O6
14
14
177.53
mp-26500
9.466612
8.053508
-5.915113
other
Cr8P12O48
68
14
857.79
mp-1180847
6.869675
6.138147
-3.74526
other
Lu4I12O40
56
14
987.93
mp-27741
-5.329272
-2.214629
-2.457536
other
Te4Au4I4
12
14
420.48
mp-1029776
2.243625
2.207797
1.6116
other
Li8Ge4N8
20
14
207.74
mp-29836
1.199033
1.79627
-5.375127
other
Na6Ho2Cl12
20
14
496.21
mp-26412
8.171846
7.888167
-4.068554
other
Fe8P12O48
68
14
927.08
mp-568190
-0.403793
0.728054
-2.542301
other
La16C16Cl10
42
14
901.39
mp-1197387
6.433632
0.39126
-3.44205
other
B40H56S8
104
14
1,258.74
mp-557985
13.035342
5.904156
-6.212352
other
K8P8O24
40
14
641.98
mp-767617
9.98278
2.488607
1.569789
other
Li4V4F16
24
14
315.56
mp-779723
13.191923
6.244476
-6.272765
other
Ba4P12O34
50
14
901.81
mp-744482
10.053843
5.257519
-4.291471
other
Mo16H64O80
160
14
1,694.96
mp-1246280
2.266268
1.950841
1.748204
other
Y4Ga4N8
16
14
225.71
mp-4662
8.733276
2.021713
2.211673
other
Sc4O4F4
12
14
148.19
mp-27735
1.857902
2.498474
-4.960373
other
Ga4Sb4Cl24
32
14
1,003.75
mp-768658
10.943506
4.277975
-3.347589
other
La4H12O12
28
14
423.73
mp-1209463
1.091293
1.969347
-5.650621
other
Rb4Eu8Cl20
32
14
893.58
mp-17588
8.662794
1.902505
-0.69337
other
Ag4Ru4F28
36
14
507.26
mp-1104293
8.42521
0.644801
0.525068
other
K4Ag2F8
14
14
241.86
mp-776076
12.459011
6.312914
-0.262632
other
Ba8Si8O24
40
14
643.33
mp-1210691
7.042316
6.850278
-3.803472
other
Pr4I4O36
44
14
690.1
mp-777227
11.556561
10.631365
0.196779
other
Na32V8O28
68
14
973.51
mp-1212491
8.077637
2.034816
-0.33751
other
Hf4N4F20
28
14
485.3
mp-772033
12.430978
12.450253
-0.368099
other
Nb4V4O16
24
14
264.79
mp-1191430
4.024908
3.988862
-4.004113
other
Cu4Cl12O8
24
14
484.53
mp-775806
-3.640067
-1.320728
-5.490207
other
Li24Sb8S24
56
14
1,229.73
mp-18351
-3.374069
-4.291602
0.605548
other
Sr12Ge8P16
36
14
918.95
mp-1211690
1.108187
1.810641
-5.203426
other
K4Er8Cl28
40
14
1,094.03
mp-1195874
7.39053
5.92146
-4.767237
other
Mg4C4O24
32
14
401.8
mp-567407
-0.166698
0.504643
-3.268041
other
Dy20C8Br36
64
14
1,866.33
mp-28982
1.575483
2.476331
-5.184563
other
Pd2Pb4Cl12
18
14
470.05
mp-1192907
14.458021
7.977948
-5.410206
other
Cr6P4O16
26
14
413.08
mp-559894
9.906245
9.860073
-1.825773
other
Sb16Te16O72
104
14
1,477.07
mp-31302
7.899031
4.280753
-5.861216
other
K8C8O24
40
14
644.8
mp-1245854
1.050083
2.069271
1.436433
other
Sr4Ir4N8
16
14
255.4
mp-1212077
6.919514
5.950624
-3.800403
other
Li8W4O48
60
14
886.41
mp-1211924
1.195372
2.11292
-5.639241
other
K12Ho4Cl24
40
14
1,186.1
mp-17956
10.742374
9.100609
1.950956
other
Ca8U4O20
32
14
467.17
mp-743517
7.253252
6.549443
-3.390535
other
Ce4I16O52
72
14
1,184.97
mp-771642
-1.186499
1.998069
-1.844215
other
Sr8Ca4I24
36
14
1,615.67
mp-1182701
8.629538
8.436834
-1.453619
other
Hg32Br12O16
60
14
2,057.67
mp-770735
7.798814
10.130356
-3.789983
other
Zn4Cr4O16
24
14
306.35
mp-1203212
6.125483
5.186706
-4.48834
other
Yb4N12O36
52
14
719.7
mp-1338614
6.299688
12.228994
-2.084421
other
Mg8Co24O56
88
14
976.46
mp-1211246
-5.271057
-4.278359
5.358527
other
La8Si8Pd8
24
14
519.67
mp-768490
9.968364
4.793562
-6.90543
other
Bi8S12O48
68
14
1,132.58
mp-626169
11.609006
6.106962
-2.066285
other
U2H4O8
14
14
168.46