MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ni4Zr2
|
0
|
-28.215
|
'Fd-3m' |
227 |
MatHub3d-67830-Ni4Zr2 |
Band
|
|
Ni6Zr2
|
0
|
-34.691
|
'P6_3/mmc' |
194 |
MatHub3d-67892-Ni6Zr2 |
Band
|
|
Ni11Zr9
|
0
|
-109.322
|
'I4/m' |
87 |
MatHub3d-67962-Ni11Zr9 |
Band
|
|
Np8
|
0
|
-101.822
|
'Pnma' |
62 |
MatHub3d-68131-Np8 |
Band
|
|
Np2Os4
|
0
|
-57.175
|
'Fd-3m' |
227 |
MatHub3d-68106-Np2Os4 |
Band
|
|
Np1Pd3
|
0
|
-24.346
|
'Pm-3m' |
221 |
MatHub3d-68087-Np1Pd3 |
Band
|
|
Np1Rh3
|
0
|
-26.266
|
'Pm-3m' |
221 |
MatHub3d-68090-Np1Rh3 |
Band
|
|
Np2Ru4
|
0
|
-47.288
|
'Fd-3m' |
227 |
MatHub3d-68111-Np2Ru4 |
Band
|
|
Np1Sn3
|
0
|
-24.893
|
'Pm-3m' |
221 |
MatHub3d-68099-Np1Sn3 |
Band
|
|
Np3Sn1
|
0
|
-41.123
|
'Pm-3m' |
221 |
MatHub3d-68116-Np3Sn1 |
Band
|
|
Np3Tl1
|
0
|
-38.199
|
'Pm-3m' |
221 |
MatHub3d-68117-Np3Tl1 |
Band
|
|
Al3La1Pd2
|
0
|
-27.504
|
'P6/mmm' |
191 |
MatHub3d-3032-Al3La1Pd2 |
Band
|
|
Al2La1Zn2
|
0
|
-14.991
|
'I4/mmm' |
139 |
MatHub3d-2769-Al2La1Zn2 |
Band
|
|
Al1Li2Pd1
|
0
|
-12.921
|
'F-43m' |
216 |
MatHub3d-2212-Al1Li2Pd1 |
Band
|
|
Al2Li1Pd1
|
0
|
-15.131
|
'Fm-3m' |
225 |
MatHub3d-2777-Al2Li1Pd1 |
Band
|
|
Al1Li2Pt1
|
0
|
-14.358
|
'F-43m' |
216 |
MatHub3d-2215-Al1Li2Pt1 |
Band
|
|
Al2Li1Pt1
|
0
|
-16.640
|
'Fm-3m' |
225 |
MatHub3d-2778-Al2Li1Pt1 |
Band
|
|
Al1Li2Rh1
|
0
|
-13.629
|
'F-43m' |
216 |
MatHub3d-2216-Al1Li2Rh1 |
Band
|
|
Al2Li1Rh1
|
0
|
-16.332
|
'Fm-3m' |
225 |
MatHub3d-2779-Al2Li1Rh1 |
Band
|
|
Al12Mo4
|
0
|
-82.329
|
'Cm' |
8 |
MatHub3d-4592-Al12Mo4 |
Band
|
|
Al10Mo2
|
0
|
-56.307
|
'R-3c' |
167 |
MatHub3d-4461-Al10Mo2 |
Band
|
|
Al10Mo2
|
0
|
-56.402
|
'P6_322' |
182 |
MatHub3d-4462-Al10Mo2 |
Band
|
|
Al1Nb1Ru2
|
0
|
-26.526
|
'Fm-3m' |
225 |
MatHub3d-2274-Al1Nb1Ru2 |
Band
|
|
Al1Ni3
|
0
|
-12.649
|
'Pm-3m' |
221 |
MatHub3d-2287-Al1Ni3 |
Band
|
|
Al4Ni12Sm6
|
0
|
-81.581
|
'Im-3m' |
229 |
MatHub3d-3683-Al4Ni12Sm6 |
Band
|