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-1217111
-6.084133
-2.731438
5.238683
other
Ti5Al11
16
99
250.46
mp-1106121
-5.555345
-2.020454
-3.358613
other
Fe9Se8
17
99
314.21
mp-1225676
-6.170729
-2.752681
-2.296019
other
Cu3Te2
5
99
97.75
mp-680639
-9.212473
-4.385767
3.325983
other
Cu21Pd7
28
99
358.23
mp-1224352
2.930136
-0.654247
-2.00875
other
H4Pd3
7
99
64.28
mp-1237637
-4.513371
-5.769749
2.763165
other
Tl1C1
2
99
37.71
mp-1192739
11.171301
12.286841
-3.398196
other
Cs4V6O16
26
100
483.71
mp-1247129
2.535612
2.195116
2.027225
other
Zr6Si12N22
40
100
472.3
mp-1193517
8.361454
7.878537
-4.200987
other
V6N4O16
26
100
450.11
mp-1246631
0.849491
2.617367
1.752491
other
Li6V12N22
40
100
579.1
mp-1246008
2.391355
2.187448
1.868251
other
Sc6Ge12N22
40
100
531.28
mp-1247537
2.332716
2.207313
1.941406
other
Zr6Ge12N22
40
100
540.16
mp-2646974
12.833509
10.932028
-0.857289
other
Mo4S4O4
12
100
263.84
mp-1209932
2.839011
2.233934
1.787512
other
Nd6Si12N22
40
100
493.66
mp-1245407
2.405214
2.169267
1.743296
other
Y6Ge12N22
40
100
555.42
mp-1247366
2.513357
2.226538
2.01369
other
Ti6Si12N22
40
100
454.73
mp-541712
2.667869
2.120416
1.895232
other
Ce6Si12N22
40
100
498.08
mp-1245708
2.575375
2.441162
1.711685
other
Co6Si12N22
40
100
443.57
mp-1195070
-5.905488
-3.635917
1.85542
other
Zr16Cu4Sb28
48
100
1,118.26
mp-770899
10.757225
12.466336
-3.625081
other
Li4V6O16
26
100
423.12
mp-1179789
11.062822
12.35349
-3.430068
other
Rb4V6O16
26
100
449.98
mp-510519
11.108219
12.337876
-3.39703
other
Rb4V6O16
26
100
443.5
mp-16787
11.087304
12.366113
-3.484092
other
K4V6O16
26
100
414.06
mp-759954
10.66664
0.026167
0.800834
other
Li6Mn10F30
46
100
672.8
mp-1246222
2.680918
2.380944
1.736363
other
Mn6Si12N22
40
100
456.97
mp-1194395
12.423583
11.87249
-2.490687
other
V6As4O18
28
100
393.86
mp-16929
2.838289
2.237257
1.768325
other
Pr6Si12N22
40
100
498.35
mp-1245397
2.604733
2.337252
1.858212
other
Cr6Si12N22
40
100
453.6
mp-1208795
10.933014
11.168474
3.077769
other
Sr6Nb10O30
46
100
643.68
mp-1019893
2.82512
2.228617
1.797341
other
La6Si12N22
40
100
503.82
mp-1208174
11.186683
12.343319
-3.298757
other
Tl4V6O16
26
100
430.69
mp-16995
2.830843
2.23497
1.812176
other
Sm6Si12N22
40
100
486.43
mp-1246816
2.823716
2.329205
1.71996
other
In6Si12N22
40
100
477.36
mp-1245416
2.487476
2.375664
1.509976
other
Ge12Bi6N22
40
100
591.03
mp-1195972
10.723506
6.079871
-4.656237
other
V6H12O20
38
100
452.01
mp-1245818
0.821157
2.606723
1.76197
other
Na6V12N22
40
100
578.57
mp-1247410
2.764528
2.315562
1.584026
other
Si12Bi6N22
40
100
512.68
mp-1029652
2.818294
2.255752
1.805678
other
Y6Si12N22
40
100
475.5
mp-1246418
2.33906
2.140187
2.049315
other
Ta6Si12N22
40
100
453.07
mp-1247382
2.306506
2.479788
1.614659
other
Co6Ge12N22
40
100
447.54
mp-1245692
2.536644
2.356112
1.522016
other
In6Ge12N22
40
100
540.55
mp-1245870
2.74964
2.246368
1.884478
other
Sc6Si12N22
40
100
463.55
mp-1194363
8.909986
10.593546
-4.062877
other
V6N4O16
26
100
424.3
mp-1247016
2.677495
2.339329
1.615461
other
Si12Sb6N22
40
100
506.29
mp-722193
6.225083
6.033009
-3.874169
other
N2Cl2O4
8
100
170.81
mp-1210716
-7.259822
-10.954468
4.836727
other
Mg24Ni4Sn4
32
101
684.17
mp-1200714
-7.503611
-4.0193
3.720947
other
Yb12Ge52Pt16
80
101
1,514.65
mp-17905
-3.80733
-1.567234
-5.866387
other
Cs4Hg12S14
30
102
846.78
mp-777500
15.131536
12.609485
-0.879001
other
V6O8F4
18
102
198.74
mp-753573
9.640115
1.862104
-0.068153
other
Li2V2F12
16
102
207.88
mp-557403
10.763347
0.809542
1.465799
original
Li2Fe4F12
18
102
213.02
mp-1310207
9.824873
14.935757
-1.369173
other
Mn6O8F4
18
102
198.61
mp-36940
4.120934
2.260571
-3.133306
other
Mg2C4N4
10
102
242.56
mp-770399
9.832142
12.470118
0.967886
other
Li12Ti4O14
30
102
301.61
mp-35687
4.157377
2.173995
-3.296128
other
Be2C4N4
10
102
154.65
mp-1182683
5.568027
4.773737
-4.255414
other
Co4N32O18
54
102
1,353.26
mp-559112
9.940248
8.852687
0.458532
other
K4Zn12O14
30
102
411.28
mp-1222351
8.88246
1.560782
-0.629373
other
Li2Fe2F12
16
102
178.53
mp-34656
4.208954
2.321503
-3.083884
other
Cd2C4N4
10
102
270.26
mp-1190754
5.398498
-0.497421
-3.07482
other
Cd2B4H16
22
102
212.3
mp-759583
8.433595
12.100588
-0.940316
other
Na4Co12O14
30
102
382.79
mp-1199828
5.563488
4.689019
-4.209722
other
Co4N30O22
56
102
1,403.07
mp-1192119
5.430324
-0.481757
-2.990644
other
Mg2B4H16
22
102
192.78
mp-35751
4.048469
2.201093
-3.099885
other
Zn2C4N4
10
102
211.2
mp-557295
9.554761
7.548883
-3.662825
other
V8Se16O48
72
103
984.89
mp-31407
-5.427498
-6.28782
0.941928
other
Ba10In8Bi10
28
104
1,065.63
mp-1193545
10.556095
9.558246
-0.836491
other
Cu4Sb8O16
28
106
471.54
mp-1175459
4.254671
19.31892
-1.85121
other
Li9Co7O16
32
10
283.24
mp-779014
6.148539
13.226202
-2.659399
other
Co6O10F2
18
10
177.68
mp-1222227
-6.39076
-0.68974
3.839109
other
Mn20Si12C1
33
10
392.91
mp-1225837
7.539373
10.711476
-0.928936
other
Cu8Pt2O10
20
10
233.12
mp-1101340
-1.172647
1.987035
-1.836625
other
Sr1Ca1I4
6
10
275.26
mp-754905
9.706731
1.022074
-0.532228
other
Ni6O2F10
18
10
204.53
mp-1227395
-5.757476
-3.808636
-1.678636
other
Ca1Tm2Te4
7
10
238.5
mp-1024056
-5.264391
-0.744007
-4.419807
other
Fe8Si4S16
28
10
441.45
mp-1227401
-5.841389
-3.780802
-1.717942
other
Ca1Dy2Te4
7
10
243.76
mp-1284451
9.846138
14.12916
-0.084276
other
Li2Mn6O8
16
10
168.72
mp-1197010
10.152413
11.526866
3.073182
other
Sr10Ti18O46
74
10
1,432.72
mp-779089
10.17658
1.622983
-2.06532
other
Co6O6F6
18
10
189.48
mp-755237
9.798817
11.427979
-1.841906
other
Mn1Te1O4
6
10
86.15
mp-1100933
10.81518
8.177732
-1.938666
other
V4Ge13O36
53
10
533.03
mp-2228326
8.291915
14.202847
-1.67424
other
Mg1Mn6O12
19
10
266.37
mp-28888
-4.478415
-1.486577
-4.474973
other
Cu2Pt4S8
14
10
250.62
mp-729788
7.857142
5.525275
-3.655999
other
La2Cl2O4
8
10
171.35
mp-1221293
10.608206
12.409894
2.138952
other
Na2Ti12O25
39
10
483.47
mp-754746
14.775856
12.332277
-0.84717
other
V6O6F6
18
10
209.39
mp-1226018
-6.243361
-2.209325
0.806727
other
Co1Ni1As4
6
10
97.12
mp-1224972
-6.285412
-2.062093
0.839038
other
Fe1Co1As4
6
10
91.53
mp-1174051
3.87588
19.61935
-1.825714
other
Li5Co3O8
16
10
141.13
mp-764328
8.20159
14.672399
-1.048123
other
Na5Mn7O16
28
10
326.93
mp-1100948
11.876122
12.465506
-1.486634
other
V11Sb9O40
60
10
686.42
mp-1225200
-7.493396
-1.948095
2.493271
other
Fe3Co3Sn6
12
10
210.34
mp-1174685
6.66989
19.540257
-0.373576
other
Li10Mn6O16
32
10
287.97
mp-753552
7.517859
10.685359
-0.909918
other
Cu8Pt2O10
20
10
224.69
mp-1197629
10.042577
11.4011
3.155327
other
Sr15Ti25O65
105
10
2,137.32
mp-1175366
6.919003
19.919621
-0.197611
other
Li7Mn5O12
24
10
219.12
mp-1228753
-5.928128
-2.24628
0.830008
other
As2P2Ru2
6
10
96.24
mp-775826
5.87715
12.882927
-2.589597
other
Fe3Co7O20
30
10
341.96
mp-1227385
-5.844395
-3.791813
-1.724331
other
Ca1Ho2Te4
7
10
241.42
mp-3182
-2.615971
0.649911
2.582046
other
Th3B2C3
8
10
129.29