MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Cu1Ti1
|
0
|
-7.280
|
'P4/mmm' |
123 |
MatHub3d-38027-Cu1Ti1 |
Band
|
|
Cu2Ti2
|
0
|
-14.350
|
'P4/nmm' |
129 |
MatHub3d-38857-Cu2Ti2 |
Band
|
|
Dy1Mg1
|
0
|
-6.204
|
'Pm-3m' |
221 |
MatHub3d-40424-Dy1Mg1 |
Band
|
|
Cu1Ti3
|
0
|
-16.617
|
'P4/mmm' |
123 |
MatHub3d-38029-Cu1Ti3 |
Band
|
|
Cu3Ti2
|
0
|
-16.843
|
'I4/mmm' |
139 |
MatHub3d-39084-Cu3Ti2 |
Band
|
|
Cu6Ti4
|
0
|
-33.614
|
'P4/nmm' |
129 |
MatHub3d-39883-Cu6Ti4 |
Band
|
|
Cu1Tm1
|
0
|
-7.310
|
'Pm-3m' |
221 |
MatHub3d-38030-Cu1Tm1 |
Band
|
|
Cu5Tm1
|
0
|
-17.257
|
'F-43m' |
216 |
MatHub3d-39725-Cu5Tm1 |
Band
|
|
Cu1Y1
|
0
|
-9.204
|
'Pm-3m' |
221 |
MatHub3d-38032-Cu1Y1 |
Band
|
|
Cu5Y1
|
0
|
-19.204
|
'P6/mmm' |
191 |
MatHub3d-39727-Cu5Y1 |
Band
|
|
Cu4Yb4
|
0
|
-17.335
|
'Pnma' |
62 |
MatHub3d-39672-Cu4Yb4 |
Band
|
|
Cu4Yb2
|
0
|
-13.912
|
'Imma' |
74 |
MatHub3d-39671-Cu4Yb2 |
Band
|
|
Cu5Yb1
|
0
|
-14.412
|
'P6/mmm' |
191 |
MatHub3d-39728-Cu5Yb1 |
Band
|
|
Dy4Mg8
|
0
|
-31.061
|
'P6_3/mmc' |
194 |
MatHub3d-40689-Dy4Mg8 |
Band
|
|
Cu2Zn1Zr1
|
0
|
-14.356
|
'Fm-3m' |
225 |
MatHub3d-38859-Cu2Zn1Zr1 |
Band
|
|
Cu1Zr1
|
0
|
-11.007
|
'Pm-3m' |
221 |
MatHub3d-38034-Cu1Zr1 |
Band
|
|
Cu1Zr2
|
0
|
-19.732
|
'I4/mmm' |
139 |
MatHub3d-38035-Cu1Zr2 |
Band
|
|
Cu5Zr1
|
0
|
-20.766
|
'F-43m' |
216 |
MatHub3d-39729-Cu5Zr1 |
Band
|
|
Bi2Na2O4
|
1.295
|
-41.221
|
'C2/c' |
15 |
MatHub3d-15976-Bi2Na2O4 |
Transport
|
|
Dy2Fe4
|
0
|
-28.896
|
'Fd-3m' |
227 |
MatHub3d-40507-Dy2Fe4 |
Band
|
|
Dy1Fe5
|
0
|
-28.933
|
'P6/mmm' |
191 |
MatHub3d-40376-Dy1Fe5 |
Band
|
|
Dy1Fe2Ge2
|
0
|
-25.854
|
'I4/mmm' |
139 |
MatHub3d-40374-Dy1Fe2Ge2 |
Band
|
|
Dy1Ga3
|
0
|
-15.172
|
'Pm-3m' |
221 |
MatHub3d-40380-Dy1Ga3 |
Band
|
|
Dy10Ga6
|
0
|
-69.945
|
'I4/mcm' |
140 |
MatHub3d-40855-Dy10Ga6 |
Band
|
|
Bi2Na6O8
|
1.013
|
-77.430
|
'P2/c' |
13 |
MatHub3d-15984-Bi2Na6O8 |
Transport
|