MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ga2Li1Rh1
|
0
|
-14.089
|
'Fm-3m' |
225 |
MatHub3d-48798-Ga2Li1Rh1 |
Band
|
|
Ga2Li1Ru1
|
0
|
-14.899
|
'Fm-3m' |
225 |
MatHub3d-48799-Ga2Li1Ru1 |
Band
|
|
Ga2Li1Pt1
|
0
|
-14.220
|
'Fm-3m' |
225 |
MatHub3d-48797-Ga2Li1Pt1 |
Band
|
|
Ga1Mo4S8
|
0
|
-78.701
|
'F-43m' |
216 |
MatHub3d-48651-Ga1Mo4S8 |
Band
|
|
Ga3Ni3U3
|
0
|
-51.673
|
'P-62m' |
189 |
MatHub3d-48925-Ga3Ni3U3 |
Band
|
|
Ga5Ni1U1
|
0
|
-30.203
|
'P4/mmm' |
123 |
MatHub3d-49139-Ga5Ni1U1 |
Band
|
|
Ga8Ru1U2
|
0
|
-54.443
|
'P4/mmm' |
123 |
MatHub3d-49286-Ga8Ru1U2 |
Band
|
|
Hg3Pd3Sm3
|
0
|
-30.696
|
'P-62m' |
189 |
MatHub3d-54174-Hg3Pd3Sm3 |
Band
|
|
Hg2Rh1
|
0
|
-4.420
|
'P4/mmm' |
123 |
MatHub3d-54142-Hg2Rh1 |
Band
|
|
Ho1Si2
|
0
|
-16.880
|
'P6/mmm' |
191 |
MatHub3d-54497-Ho1Si2 |
Band
|
|
In2Ir1Li1
|
0
|
-14.304
|
'Fm-3m' |
225 |
MatHub3d-55617-In2Ir1Li1 |
Band
|
|
In2La2Ni4
|
0
|
-26.632
|
'Pmma' |
51 |
MatHub3d-55628-In2La2Ni4 |
Band
|
|
In1Li2Pd1
|
0
|
-11.543
|
'F-43m' |
216 |
MatHub3d-55460-In1Li2Pd1 |
Band
|
|
In2Li1Pd1
|
0
|
-11.939
|
'Fm-3m' |
225 |
MatHub3d-55634-In2Li1Pd1 |
Band
|
|
In2Li1Pt1
|
0
|
-12.839
|
'Fm-3m' |
225 |
MatHub3d-55635-In2Li1Pt1 |
Band
|
|
In1Li2Pt1
|
0
|
-12.607
|
'F-43m' |
216 |
MatHub3d-55463-In1Li2Pt1 |
Band
|
|
In2Li1Rh1
|
0
|
-12.627
|
'Fm-3m' |
225 |
MatHub3d-55636-In2Li1Rh1 |
Band
|
|
Ga3Ni1U1
|
0
|
-23.161
|
'I-4m2' |
119 |
MatHub3d-48922-Ga3Ni1U1 |
Band
|
|
Ce1Co2Si2
|
0
|
-25.754
|
'I4/mmm' |
139 |
MatHub3d-27683-Ce1Co2Si2 |
Band
|
|
Ni2Sc1Si2
|
0
|
-24.693
|
'I4/mmm' |
139 |
MatHub3d-67609-Ni2Sc1Si2 |
Band
|
|
Ni2Si2Y1
|
0
|
-26.406
|
'I4/mmm' |
139 |
MatHub3d-67625-Ni2Si2Y1 |
Band
|
|
Cu2La1Si2
|
0
|
-22.977
|
'I4/mmm' |
139 |
MatHub3d-38438-Cu2La1Si2 |
Band
|
|
Ce1Ge2Ni2
|
0
|
-23.504
|
'I4/mmm' |
139 |
MatHub3d-27716-Ce1Ge2Ni2 |
Band
|
|
In2Ni4Np4
|
0
|
-64.637
|
'P4/mbm' |
127 |
MatHub3d-55688-In2Ni4Np4 |
Band
|
|
In1Ni2U1
|
0
|
-18.559
|
'Fm-3m' |
225 |
MatHub3d-55532-In1Ni2U1 |
Band
|