MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ac1Mg3
|
0
|
-8.805
|
'Fm-3m' |
225 |
MatHub3d-51-Ac1Mg3 |
Band
|
|
Ac1Mg5
|
0
|
-12.046
|
'P6/mmm' |
191 |
MatHub3d-52-Ac1Mg5 |
Band
|
|
Ac1Na1
|
0
|
-5.043
|
'P-6m2' |
187 |
MatHub3d-53-Ac1Na1 |
Band
|
|
Ac1Na1Te2
|
0.592
|
-16.713
|
'Fm-3m' |
225 |
MatHub3d-54-Ac1Na1Te2 |
Transport
|
|
Ac1Na1Tl2
|
0
|
-10.977
|
'Fm-3m' |
225 |
MatHub3d-55-Ac1Na1Tl2 |
Band
|
|
Ac1O3Rb1
|
0
|
-28.871
|
'Pm-3m' |
221 |
MatHub3d-56-Ac1O3Rb1 |
Band
|
|
Ac1O3Ti1
|
0
|
-39.438
|
'Pm-3m' |
221 |
MatHub3d-57-Ac1O3Ti1 |
Band
|
|
Ac1Rb1Te2
|
0.900
|
-16.290
|
'Fm-3m' |
225 |
MatHub3d-58-Ac1Rb1Te2 |
Transport
|
|
Ac1Rb3
|
0
|
-5.034
|
'I4/mmm' |
139 |
MatHub3d-59-Ac1Rb3 |
Band
|
|
Ac1Rh2Yb1
|
0
|
-16.176
|
'Fm-3m' |
225 |
MatHub3d-60-Ac1Rh2Yb1 |
Band
|
|
Ac1Sr1Tl2
|
0
|
-11.722
|
'Fm-3m' |
225 |
MatHub3d-61-Ac1Sr1Tl2 |
Band
|
|
Ac1Sr1Zn2
|
0
|
-8.830
|
'Fm-3m' |
225 |
MatHub3d-62-Ac1Sr1Zn2 |
Band
|
|
Ac1Te2Tl1
|
0.611
|
-16.757
|
'Fm-3m' |
225 |
MatHub3d-63-Ac1Te2Tl1 |
Transport
|
|
Ac1Te3
|
0
|
-16.988
|
'I4/mmm' |
139 |
MatHub3d-64-Ac1Te3 |
Band
|
|
Ac1Yb1Zn2
|
0
|
-7.222
|
'Fm-3m' |
225 |
MatHub3d-65-Ac1Yb1Zn2 |
Band
|
|
Ac2Ag1Ir1
|
0
|
-16.512
|
'Fm-3m' |
225 |
MatHub3d-66-Ac2Ag1Ir1 |
Band
|
|
Ac2Ag6
|
0
|
-14.688
|
'P6_3/mmc' |
194 |
MatHub3d-67-Ac2Ag6 |
Band
|
|
Ac2Al6
|
0
|
-33.553
|
'P6_3/mmc' |
194 |
MatHub3d-68-Ac2Al6 |
Band
|
|
Ac2Au1Ir1
|
0
|
-17.883
|
'Fm-3m' |
225 |
MatHub3d-69-Ac2Au1Ir1 |
Band
|
|
Ac2Au1Si1
|
0
|
-17.016
|
'Fm-3m' |
225 |
MatHub3d-70-Ac2Au1Si1 |
Band
|
|
Ac2Au6
|
0
|
-20.867
|
'P6_3/mmc' |
194 |
MatHub3d-71-Ac2Au6 |
Band
|
|
Ac2Br2O2
|
4.258
|
-39.256
|
'P4/nmm' |
129 |
MatHub3d-72-Ac2Br2O2 |
Transport
|
|
Ac2Br6
|
4.117
|
-34.744
|
'P6_3/m' |
176 |
MatHub3d-73-Ac2Br6 |
Transport
|
|
Ac2Br6
|
4.115
|
-34.744
|
'P6_3/m' |
176 |
MatHub3d-74-Ac2Br6 |
Transport
|
|
Ac2Cd1Sn1
|
0
|
-14.093
|
'Fm-3m' |
225 |
MatHub3d-75-Ac2Cd1Sn1 |
Band
|