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-1228045
10.189211
8.928574
3.139929
other
Ba2Sc16Ni4O30
52
36
642.53
mp-1216911
-3.411993
-2.0567
-5.908241
other
Tm2Cu2Pb2S6
12
36
261.16
mp-1195041
6.442384
-0.123294
-3.523368
other
Y2B6H30N2
40
36
383.58
mp-570225
2.257241
2.597799
-4.453457
other
Nb2As2P2Cl26
32
36
1,052.89
mp-1020019
13.195844
6.904591
-6.403446
other
Li4P2N2O4
12
36
118.73
mp-775194
10.069615
12.916014
-0.890119
other
Li4Fe6W2O16
28
36
309.98
mp-705059
12.262279
7.527257
-6.7557
other
Tl2Ni8P6O24
40
36
504.12
mp-1222006
-6.253458
-0.42907
3.354424
other
Mn16Si4Mo4C4
28
36
314.25
mp-556866
-1.174583
2.298871
-3.740059
other
Ag4Hg2S2I4
12
36
397
mp-1106163
8.217081
2.29396
-1.095135
other
Mo2N4O2F10
18
36
327.85
mp-1189860
-5.857354
-3.868588
-1.663684
other
Ba4Dy2In2Te10
18
36
677.43
mp-769871
6.694775
13.228613
-1.451905
other
Li4Cr2Fe6O16
28
36
289.73
mp-566593
10.117253
11.544898
-0.170804
other
Li12Mn6Sn18O48
84
36
1,015.24
mp-752505
10.36794
2.203167
2.182225
other
Li4Fe4O2F8
18
36
190.71
mp-864638
-3.304583
-1.82575
-5.535194
other
Ba4In2Bi2S10
18
36
508.8
mp-1190900
12.477317
6.376874
-0.576589
other
Ba2Zn4Si4O14
24
36
348.26
mp-1190450
9.410713
7.061113
-3.629245
other
Na2Nb2Se4O14
22
36
334.37
mp-555867
10.667923
10.249697
1.934657
other
Ba2Nb4Bi4O18
28
36
419.88
mp-763831
9.958279
12.281632
0.221171
other
Li16Mn2O8F4
30
36
306.19
mp-559366
6.653543
2.819413
-3.304913
other
P6Br6N6F6
24
36
566.8
mp-556569
10.66712
10.354678
2.279119
other
Sr2Ta4Bi4O18
28
36
476.34
mp-1223401
11.115873
11.833487
2.660094
other
K2Nb8As2O26
38
36
571.52
mp-583454
10.661151
10.229706
1.506969
other
Nb4Bi4Pb2O18
28
36
409.06
mp-554975
-3.253958
-1.874269
-5.438071
other
Ba8Gd4Cd6S20
38
36
1,034.83
mp-772397
10.661608
12.483243
-0.327076
other
Li10W2N2O8
22
36
226.71
mp-1205400
-5.823918
-3.899686
-1.656803
other
Ba4Nd2In2Te10
18
36
689.45
mp-23614
10.712922
10.225268
1.85652
other
Sr2Nb4Bi4O18
28
36
408.08
mp-1223145
-2.214834
-2.670182
-5.639243
other
La8S8Cl4O2
22
36
540.74
mp-556653
11.040769
7.739909
-2.984235
other
Cd4Bi2As2O12
20
36
297.86
mp-541190
10.847607
11.596445
-2.916325
other
Cs4Li2V2O8
16
36
320.25
mp-1196887
-4.456406
-3.053819
-3.675564
other
Ba8Si2Sb4Se22
36
36
1,111.12
mp-850188
10.277659
1.858986
-0.152381
other
Li2V2O2F8
14
36
189.51
mp-558063
-3.961599
-1.821953
-5.37675
other
K2Cu2Bi4S8
16
36
407.45
mp-1218453
10.702653
8.712326
2.96859
other
Sr2Ce2Sc2O8
14
36
208.69
mp-759135
12.135457
7.568889
-6.956769
other
Li2Ni8P6O24
40
36
468.04
mp-1102208
0.359555
1.717181
-4.250396
other
K2Pb2Br6O2
12
36
407.08
mp-1200976
12.040076
6.709391
-6.226662
other
Sn6P4N4O20
34
36
558.44
mp-1102516
0.53391
1.838481
-4.120789
other
K2Hg2Br6O2
12
36
381.39
mp-683887
7.691339
10.442309
1.234385
other
Ba10Na4Ru6O28
48
36
755.09
mp-19123
10.89046
11.832667
-2.887043
other
Rb4Li2V2O8
16
36
269.66
mp-1217605
-3.367869
-2.074931
-5.861175
other
Tb2Cu2Pb2S6
12
36
265.71
mp-759742
11.331018
7.577256
-6.919565
other
Li2Cu8P6O24
40
36
476.95
mp-885434
8.772146
11.793933
-0.126399
other
K2Li4Fe2O6
14
36
178
mp-1227100
10.011569
8.734134
2.118188
other
Ca2Nd2Ga2O8
14
36
180.88
mp-1205451
2.051299
2.98687
-4.790143
other
K4Os2N2Cl10
18
36
600.87
mp-1182037
5.671961
-0.279917
-3.106987
other
Ca6B8H24O6
44
36
434.29
mp-1207861
11.009788
11.21349
-2.835281
other
V2Cd4Bi2O12
20
36
294.54
mp-760982
8.982503
14.750435
-0.57001
other
Li6Mn6Cr2O16
30
36
263.65
mp-1225628
-3.418496
-2.078183
-5.894129
other
Er2Cu2Pb2S6
12
36
260.26
mp-864879
3.176636
2.729109
-4.202366
other
Nb2C4N2Cl16
24
36
630.84
mp-1194835
9.471565
3.111388
-4.555298
other
Cr2H24N6O16
48
36
413.91
mp-1219952
-0.778814
2.443004
-3.323004
other
Rb4Pt2I10O4
20
36
710.95
mp-1219595
-5.924511
-3.668668
-2.086868
other
Rb2Hg2Sb2Te6
12
36
445.48
mp-1217055
8.771603
12.942351
-0.517823
other
Ti2Al2Fe2O10
16
36
178.14
mp-558907
-3.945009
-1.846143
-5.345593
other
Cs2Cu2Bi4S8
16
36
434.75
mp-1228024
8.426146
11.664802
-0.355237
other
Ba2Sr2Fe8O16
28
36
437.37
mp-1223709
-3.605985
-1.432841
-5.421788
other
K4Ag6Sb6S14
30
36
805.09
mp-1105724
-5.842362
-3.869947
-1.737485
other
Ba4Er2Ga2Te10
18
36
665.03
mp-1105779
0.736828
2.022403
-5.172121
other
Zn2Hg6S4Cl8
20
36
581.12
mp-769338
6.26834
5.180086
-4.564435
other
Sb2N6O18F6
32
36
582.15
mp-561481
8.430221
10.203461
1.404889
other
Ba10Ru4Cl2O18
34
36
603.4
mp-14363
11.139725
7.613935
-2.32737
other
Rb4Li2As2O8
16
36
284.52
mp-1199678
12.511109
6.69418
-6.311325
other
Cs4P8Pd6O28
46
36
831.35
mp-1229157
-3.530805
-1.506287
-5.289206
other
Ag2Sb6Pb2S12
22
36
531.54
mp-1188122
-4.56882
-3.499305
-3.77131
other
Ba4Er2In2Se10
18
36
551.33
mp-724971
0.687335
1.935622
-4.048489
other
K2Hg2Br6O2
12
36
352.91
mp-559587
10.824628
9.459778
-0.68049
other
Cu8Sb16Br8O24
56
36
1,082.55
mp-1225936
-4.506083
-2.874834
-3.829047
other
Cs2Hg2Sb2Se6
12
36
408.35
mp-759984
10.700805
13.081526
-0.044705
other
Li10Cr6Ni2O16
34
36
304.17
mp-1210942
-6.594367
-0.230005
3.447097
other
Mn12Fe8Si4C4
28
36
290.13
mp-17513
-3.217722
-1.894589
-5.444793
other
Ba8Tb4Cd6S20
38
36
1,031.49
mp-1222325
-3.514144
-1.981454
-5.887404
other
Lu2Cu2Pb2S6
12
36
253.64
mp-758341
8.182793
3.987753
-7.308703
other
Li6Mn2C6O18
32
40
349.91
mp-859108
13.579642
7.613716
-0.91638
other
Li4Mn4Si4O14
26
40
294.08
mp-554346
13.285838
4.787933
-1.501
other
K2Sr8B6O18
34
40
470.6
mp-753838
12.332611
7.411006
-1.521755
other
Li4Si4Ni4O14
26
40
275
mp-765400
8.477328
3.769314
-7.335855
other
Li6Cr2C6O18
32
40
326.54
mp-1209465
8.83359
1.788256
0.282279
other
Rb4Mo2O4F8
18
40
325.91
mp-10091
-5.206539
-2.70587
-3.66083
other
K2V2Cu4Se8
16
40
406.23
mp-753464
10.362216
12.124176
0.176057
other
Li20Fe4O12F4
40
40
397.16
mp-1229043
-5.86219
-5.528805
3.452022
other
Ba8Zn4Cu2Ge40
54
40
1,283.87
mp-976307
11.945811
6.572548
-0.545205
other
K8Ba2Si6O18
34
40
549.84
mp-865532
9.829395
9.630225
-1.724804
other
Ba2Mg2Te4O14
22
40
323.56
mp-758041
8.700006
3.535135
-7.597931
other
Li6V2C6O18
32
40
356.05
mp-758631
13.859968
8.162472
-0.982817
other
Li4Fe4Si4O14
26
40
320.95
mp-1227772
10.444991
5.8597
-4.249396
other
K12Mo14H36O70
132
40
1,736.18
mp-571288
-4.712554
-2.556327
-3.673541
other
K2Ta2Ag4Se8
16
40
513.97
mp-15998
-4.231771
-0.91066
-5.415284
other
Rb2V2Cu4S8
16
40
377.01
mp-1182615
7.386349
7.456114
-4.054103
other
Ca6Mn2S4O34
46
40
704.77
mp-1224921
10.686263
9.990873
-0.498919
other
Fe4Sb6Pb2O16
28
40
463.06
mp-1190381
13.343351
7.357224
-1.129544
other
Ba2V2Si4O14
22
40
302.46
mp-1201239
8.658627
7.91203
-3.40672
other
U4Ag2Ge4O24
34
40
544.19
mp-16179
-5.029697
-3.032629
-4.079603
other
Sr2Cu4Ge2Se8
16
40
391.01
mp-1191811
9.930023
9.579176
-1.802742
other
Ba2Zn2Te4O14
22
40
327.64
mp-1189564
-4.223292
-1.055871
-5.504183
other
Na2Nb2Cu4S8
16
40
381.66
mp-555099
8.620723
3.791191
-7.149191
other
Na6Eu2C6O18
32
40
414.77
mp-758296
12.704674
7.157487
-1.553493
other
Li4Co4Si4O14
26
40
319.49
mp-1200363
8.179712
3.620229
-2.149725
other
Rb4U6O20F16
46
40
831.26
mp-765096
8.227293
4.016309
-7.379525
other
Li6Fe2C6O18
32
40
345
mp-1226548
11.504492
7.269183
-1.58486
other
Cs8Si8Sb8O40
64
40
1,060.81