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-754569
9.999829
0.542909
0.301589
other
Li2Fe2F8
12
15
164.13
mp-1272384
10.480554
8.023232
-6.447286
other
Co4P2O10
16
15
160.69
mp-1388832
9.815766
2.179454
1.470768
other
Mg2V2F10
14
15
182.28
mp-1192985
1.701345
2.97171
-4.704058
other
Fe2W4Cl20
26
15
680.9
mp-669348
1.916074
2.695187
-4.509655
other
Nb4Te4Cl36
44
15
1,449.33
mp-760657
10.826741
5.846349
-2.982222
other
Yb2B6O12
20
15
202.01
mp-15826
-5.391068
-2.95484
5.769707
other
Lu4Co6Si10
20
15
281.92
mp-1246795
5.118307
2.109267
-3.120456
other
V4C6N12
22
15
253.25
mp-20210
9.294301
8.517646
-1.050339
other
Ag4Pb2O4
10
15
176.21
mp-1105639
-5.611623
-1.982016
5.356114
other
U4Fe6Si10
20
15
295.98
mp-1043316
8.553985
8.288512
-3.474329
other
Ni2Ge4O12
18
15
226.8
mp-752914
6.463072
14.025495
-2.003374
other
Li2Co4O8
14
15
137.43
mp-1176530
10.011604
2.507781
1.524327
other
Li2V2F8
12
15
152.18
mp-1188502
7.727605
5.699775
-5.158073
other
Zn2C4O12
18
15
215.67
mp-770983
10.37746
10.725933
0.783802
other
Tb8W4O24
36
15
475.98
mp-1101374
-1.190467
2.032267
-1.886243
other
Sr4Ca2I12
18
15
763.8
mp-1178488
9.524296
8.376188
-0.642905
other
Bi6O8F2
16
15
293.43
mp-3199
9.307446
7.42799
-3.436868
other
Cu2Se4O10
16
15
223.52
mp-1246601
1.691796
1.792691
1.335798
other
Ba6Y4N8
18
15
430.2
mp-778250
10.021013
0.490091
0.658101
other
Li12Fe4F24
40
15
433.87
mp-776733
10.034245
1.946612
1.749729
other
Li12V4F24
40
15
440.07
mp-30972
10.605911
9.382645
-0.417629
other
Na4Sb8O14
26
15
466.63
mp-584727
10.03596
7.996881
-6.579091
other
Co2P8O24
34
15
452.24
mp-1273482
6.249571
13.433064
-1.361402
other
Li8Ni8O16
32
15
273.59
mp-756394
-4.760422
0.085112
-5.017881
other
Li4V4S10
18
15
328.91
mp-582080
1.300574
2.534391
-6.126435
other
Cs12La4Cl24
40
15
1,512.62
mp-21037
-2.919511
-2.528768
-4.191977
original
U4Fe2S10
16
15
299.13
mp-17650
-3.776756
-1.429368
-5.678372
other
K8Ga8S16
32
15
798.65
mp-989615
0.86746
2.595759
1.841966
other
Y4W4N12
20
15
303.49
mp-1246079
1.511356
2.052938
1.978213
other
Y8Fe4N12
24
15
304.45
mp-1246205
1.693606
1.818306
1.230659
other
Ba6In4N8
18
15
377.44
mp-1246566
1.833497
2.152395
1.149911
other
Ca6Bi4N8
18
15
342.76
mp-2221678
9.348519
1.131767
-0.357937
other
Cu4O2F4
10
15
157.4
mp-773197
7.718785
9.922558
-3.89945
other
Li4Cr8O26
38
15
622.26
mp-1247284
1.819122
1.787208
1.527564
other
Sr10Hf4N12
26
15
534.5
mp-721956
8.398417
7.01859
-3.807093
other
K6Se4O16
26
15
456.47
mp-3638
11.906142
7.532885
-6.90352
other
Cu4P4O14
22
15
243.93
mp-1195315
5.901136
11.542072
0.311671
other
Ba24Co22O66
112
15
1,584.29
mp-583221
-4.530942
-3.107723
-3.532703
other
Ba14B8Se26
48
15
1,433.27
mp-35929
8.291461
16.808964
-0.123398
other
Li4Mn4O8
16
15
158.93
mp-752700
6.974115
11.637428
-1.784266
other
Co4Ag4O12
20
15
233.99
mp-31245
10.493347
9.429206
-1.857121
other
Tb4Te8O22
34
15
493.32
mp-754044
10.123073
9.700851
3.454411
other
Ho4Ti2O10
16
15
213.28
mp-1197906
7.382344
7.127831
-4.40506
other
Pr4S6O40
50
15
767.93
mp-1211291
-6.085834
-6.878987
2.610411
other
Na40Zn14Sn24
78
15
2,110.47
mp-1120828
9.133811
2.309428
1.746537
other
Na16Ti16F56
88
15
1,199.69
mp-1201442
13.316422
6.676256
-0.814692
other
Tl8Si10O24
42
15
707.32
mp-1143521
14.222137
7.993465
-0.846972
other
Si4W2O12
18
15
231.6
mp-768845
8.412742
11.056327
-0.549543
other
Rb4Fe4O8
16
15
344.48
mp-568484
-0.07609
0.493793
-3.099406
other
La12C4Br20
36
15
1,098.83
mp-1192730
-5.25338
0.840378
-4.157045
other
V4Mo8S16
28
15
457.55
mp-684017
10.462889
9.401251
-1.924365
other
Y4Te8O22
34
15
490.45
mp-1246306
1.161751
1.959779
1.449528
other
Sr6Ir4N8
18
15
297.11
mp-29901
-6.084414
-3.54529
-2.161573
other
Rb8Cd12Te16
36
15
1,340.78
mp-1197349
9.447212
8.11464
-6.382986
other
Mn10P8O40
58
15
708.44
mp-1214997
5.724305
2.560585
-3.46591
other
C72N84Cl36
192
15
3,078.78
mp-1198441
6.066613
5.230001
-4.440188
other
Nd2N30O54
86
15
1,504.3
mp-676341
9.085815
1.991422
1.931491
other
Na4U2F12
18
15
245.03
mp-1190100
-5.973217
-3.66379
-2.477213
other
Tl4Hg6Te8
18
15
635.13
mp-571333
2.329317
2.083418
1.550778
other
Ca10Si4N12
26
15
371
mp-1203305
7.782295
7.249987
-4.135922
other
V4Se4O26
34
15
662.64
mp-1176738
8.360829
14.491957
-1.539343
other
Li4Mn28O56
88
15
1,011.33
mp-1104604
-6.313739
-6.761309
2.545227
other
Na4Sr2Sn8
14
15
424.82
mp-3375
-8.052137
-3.768809
4.90133
other
Nd8Ge6Rh8
22
15
452.46
mp-17518
1.711902
1.818781
1.682878
other
Sr8Ta4N12
24
15
428.66
mp-753073
10.163765
2.808594
1.937005
other
Li4V4F14
22
15
262.27
mp-1189235
-5.480548
-2.696875
5.593865
other
Sc4Co6Si10
20
15
277.37
mp-680450
-6.111707
-6.615057
2.30278
other
K32Li16Sn64
112
15
3,887.5
mp-3151
10.176632
12.227147
1.435592
other
Li12Ta4O16
32
15
296.32
mp-1246321
1.730629
2.077928
1.126927
other
Sr6Bi4N8
18
15
399.89
mp-771826
7.152228
9.073874
-0.689588
other
Ba6Tl12O24
42
15
734.38
mp-1209492
1.236486
2.306792
-5.805674
other
Rb12Ho4Cl24
40
15
1,286.34
mp-1246528
2.013439
2.008662
1.303382
other
Ca8Sb4N12
24
15
395.69
mp-1044617
13.42944
7.34523
-5.622136
other
Sb8P8O32
48
15
789.26
mp-1205091
8.321177
1.986231
-1.699828
other
K4B24F24
52
15
697.29
mp-13199
9.902331
9.681013
-1.144638
other
Zn18Te6O36
60
15
680.46
mp-753623
-4.764168
-1.561662
-5.824652
other
Li4Cu8S6
18
15
278.47
mp-561490
8.564545
7.069803
-3.686175
other
Pd2Se2O8
12
15
181.4
mp-730040
6.909146
5.942053
-3.604705
other
Ca2Pt2O12
16
15
273.81
mp-697977
3.422383
-0.716649
-2.433047
other
Sr8Al4H28
40
15
477.94
mp-19083
10.552068
12.28347
-3.720298
other
Na4V4O12
20
15
276.59
mp-5503
10.713231
10.364286
3.274052
other
Er2Ta2O8
12
15
143.7
mp-30111
-1.084669
1.570455
-1.544808
other
Ba2La2I8
12
15
509.32
mp-757131
12.994372
6.760736
-6.833848
other
Sn2P8O24
34
15
445.08
mp-1194254
14.006545
5.24402
-1.816416
other
U2B8O16
26
15
226.85
mp-756560
10.587816
12.541582
1.872638
other
Li4Ti6O14
24
15
268.41
mp-770409
11.675138
7.504055
0.64232
other
Tm8Ge4O20
32
15
430.19
mp-1192773
-5.234193
0.79455
-4.433575
other
Co4Mo8S16
28
15
428.92
mp-774547
11.534417
7.52615
0.804552
other
Er12Ge6O30
48
15
695.88
mp-1282726
14.635048
9.248072
-3.305031
other
V4P2O10
16
15
188.45
mp-755795
9.572783
13.255827
-1.084759
other
Li4Cr2O6
12
15
117.96
mp-1193844
6.964988
6.30847
-3.805733
other
Zn2Se4O20
26
15
466.46
mp-581413
8.424768
1.755253
0.490614
other
Ta8Hg8F44
60
15
990.03
mp-770628
8.203801
13.696093
-1.034693
other
Li8Cr4O12
24
15
211.97
mp-1214811
7.794326
0.983681
-4.118551
other
B12H20N12
44
15
612.72
mp-1246029
1.02219
2.121514
1.881611
other
Ca6Cr4N8
18
15
240.61
mp-557251
-2.808018
-1.469515
-5.349528
other
Tl4C2S6
12
15
323.94
mp-28562
-4.448311
-2.610728
-3.530547
other
Rb8As8Se16
32
15
1,104.55
mp-1192810
9.191434
9.878407
-3.880497
other
Mo6N4O20
30
15
549.87
mp-9718
-4.500324
-5.493387
0.552546
other
Rb6B2As4
12
15
420.14