MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ga2Pu1
|
0
|
-20.901
|
'P6/mmm' |
191 |
MatHub3d-48863-Ga2Pu1 |
Band
|
|
Ga8Pu2
|
0
|
-54.227
|
'Imma' |
74 |
MatHub3d-49283-Ga8Pu2 |
Band
|
|
Ga12Pu2
|
0
|
-65.421
|
'P4/nbm' |
125 |
MatHub3d-49362-Ga12Pu2 |
Band
|
|
Ga1Rh1
|
0.031
|
-8.562
|
'Pm-3m' |
221 |
MatHub3d-48705-Ga1Rh1 |
Band
|
|
Ga1Ru1
|
0
|
-9.421
|
'Pm-3m' |
221 |
MatHub3d-48714-Ga1Ru1 |
Band
|
|
Ga2Sc2
|
0
|
-18.138
|
'Cmcm' |
63 |
MatHub3d-48872-Ga2Sc2 |
Band
|
|
Ga4Sc2
|
0
|
-24.725
|
'Imma' |
74 |
MatHub3d-49109-Ga4Sc2 |
Band
|
|
Ga4Sc2
|
0
|
-24.411
|
'Cmmm' |
65 |
MatHub3d-49110-Ga4Sc2 |
Band
|
|
Ga3Sc1
|
0
|
-15.385
|
'Pm-3m' |
221 |
MatHub3d-48936-Ga3Sc1 |
Band
|
|
Ga1Sm3
|
0
|
-17.682
|
'Pm-3m' |
221 |
MatHub3d-48732-Ga1Sm3 |
Band
|
|
Ga2Sm1
|
0
|
-12.377
|
'P6/mmm' |
191 |
MatHub3d-48877-Ga2Sm1 |
Band
|
|
Ga4Sm9
|
0
|
-57.936
|
'I4/m' |
87 |
MatHub3d-49116-Ga4Sm9 |
Band
|
|
Ga4Sr1
|
0
|
-15.080
|
'I4/mmm' |
139 |
MatHub3d-49119-Ga4Sr1 |
Band
|
|
Ga3Ta1
|
0
|
-19.479
|
'I4/mmm' |
139 |
MatHub3d-48937-Ga3Ta1 |
Band
|
|
Ga6Ta10
|
0
|
-120.993
|
'P6_3/mcm' |
193 |
MatHub3d-49198-Ga6Ta10 |
Band
|
|
Ga2Tb2
|
0
|
-17.253
|
'Cmcm' |
63 |
MatHub3d-48882-Ga2Tb2 |
Band
|
|
Ga3Tb1
|
0
|
-15.208
|
'Pm-3m' |
221 |
MatHub3d-48938-Ga3Tb1 |
Band
|
|
Ga8Th8
|
0
|
-90.768
|
'Pnma' |
62 |
MatHub3d-49293-Ga8Th8 |
Band
|
|
Ga2Th1
|
0
|
-15.095
|
'P6/mmm' |
191 |
MatHub3d-48886-Ga2Th1 |
Band
|
|
Ga4Th2
|
0
|
-30.204
|
'I4_1/amd' |
141 |
MatHub3d-49125-Ga4Th2 |
Band
|
|
Ga4Th6
|
0
|
-60.122
|
'P4/mbm' |
127 |
MatHub3d-49126-Ga4Th6 |
Band
|
|
Ga1Ti1
|
0
|
-8.415
|
'P4/mmm' |
123 |
MatHub3d-48737-Ga1Ti1 |
Band
|
|
Ga2Ti4
|
0
|
-26.646
|
'P6_3/mmc' |
194 |
MatHub3d-48888-Ga2Ti4 |
Band
|
|
Ga2Ti6
|
0
|
-35.685
|
'P6_3/mmc' |
194 |
MatHub3d-48889-Ga2Ti6 |
Band
|
|
Ga3Ti1
|
0.033
|
-14.667
|
'I4/mmm' |
139 |
MatHub3d-48939-Ga3Ti1 |
Band
|