MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ac2Ir1Zn1
|
0
|
-15.992
|
'Fm-3m' |
225 |
MatHub3d-102-Ac2Ir1Zn1 |
Band
|
|
Ac2Li1Ru1
|
0
|
-15.845
|
'Fm-3m' |
225 |
MatHub3d-103-Ac2Li1Ru1 |
Band
|
|
Ac2Li1Si1
|
0
|
-16.250
|
'Fm-3m' |
225 |
MatHub3d-104-Ac2Li1Si1 |
Band
|
|
Ac2Mg1
|
0
|
-9.743
|
'I4/mmm' |
139 |
MatHub3d-105-Ac2Mg1 |
Band
|
|
Ac2Mg1Sn1
|
0
|
-14.856
|
'Fm-3m' |
225 |
MatHub3d-106-Ac2Mg1Sn1 |
Band
|
|
Ac2N2
|
0.037
|
-29.150
|
'P6_3mc' |
186 |
MatHub3d-107-Ac2N2 |
Band
|
|
Ac2Na1Pb1
|
0
|
-13.847
|
'Fm-3m' |
225 |
MatHub3d-108-Ac2Na1Pb1 |
Band
|
|
Ac2Na1Sn1
|
0
|
-14.389
|
'Fm-3m' |
225 |
MatHub3d-109-Ac2Na1Sn1 |
Band
|
|
Ac2O3
|
3.507
|
-39.617
|
'P-3m1' |
164 |
MatHub3d-110-Ac2O3 |
Transport
|
|
Ac2Pd1Si1
|
0
|
-19.102
|
'Fm-3m' |
225 |
MatHub3d-111-Ac2Pd1Si1 |
Band
|
|
Ac2Rb6
|
0
|
-10.054
|
'P6_3/mmc' |
194 |
MatHub3d-112-Ac2Rb6 |
Band
|
|
Ac2Se6
|
0
|
-37.587
|
'P6_3/mmc' |
194 |
MatHub3d-113-Ac2Se6 |
Band
|
|
Ac2Si1Zn1
|
0
|
-15.076
|
'Fm-3m' |
225 |
MatHub3d-114-Ac2Si1Zn1 |
Band
|
|
Ac2Si6
|
0
|
-43.321
|
'P6_3/mmc' |
194 |
MatHub3d-115-Ac2Si6 |
Band
|
|
Ac2Zn6
|
0
|
-11.901
|
'P6_3/mmc' |
194 |
MatHub3d-116-Ac2Zn6 |
Band
|
|
Ac3Rb1
|
0
|
-11.626
|
'Pm-3m' |
221 |
MatHub3d-117-Ac3Rb1 |
Band
|
|
Ac3Sn1
|
0
|
-17.280
|
'Pm-3m' |
221 |
MatHub3d-118-Ac3Sn1 |
Band
|
|
Ac3Sr1
|
0
|
-13.572
|
'I4/mmm' |
139 |
MatHub3d-119-Ac3Sr1 |
Band
|
|
Ac4
|
0
|
-16.242
|
'P6_3/mmc' |
194 |
MatHub3d-120-Ac4 |
Band
|
|
Ac4S6
|
3.037
|
-62.328
|
'R-3c' |
167 |
MatHub3d-121-Ac4S6 |
Transport
|
|
Ac6Ca2
|
0
|
-27.876
|
'P6_3/mmc' |
194 |
MatHub3d-122-Ac6Ca2 |
Band
|
|
Ac6Er2
|
0
|
-32.911
|
'P6_3/mmc' |
194 |
MatHub3d-123-Ac6Er2 |
Band
|
|
Ac6Hg2
|
0
|
-25.388
|
'P6_3/mmc' |
194 |
MatHub3d-124-Ac6Hg2 |
Band
|
|
Ac6In2
|
0
|
-30.878
|
'P6_3/mmc' |
194 |
MatHub3d-125-Ac6In2 |
Band
|
|
Ac6La2
|
0
|
-33.898
|
'P6_3/mmc' |
194 |
MatHub3d-126-Ac6La2 |
Band
|