MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Dy1Hg1
|
0
|
-5.704
|
'Pm-3m' |
221 |
MatHub3d-40389-Dy1Hg1 |
Band
|
|
Dy1Hg2
|
0
|
-6.076
|
'P6/mmm' |
191 |
MatHub3d-40390-Dy1Hg2 |
Band
|
|
Na6O8Sb2
|
2.111
|
-82.330
|
'P2/c' |
13 |
MatHub3d-66220-Na6O8Sb2 |
Transport
|
|
Dy1In1
|
0
|
-7.908
|
'Pm-3m' |
221 |
MatHub3d-40400-Dy1In1 |
Band
|
|
Dy1In3
|
0
|
-13.516
|
'Pm-3m' |
221 |
MatHub3d-40407-Dy1In3 |
Band
|
|
Dy4In2
|
0
|
-25.146
|
'P6_3/mmc' |
194 |
MatHub3d-40678-Dy4In2 |
Band
|
|
Dy10In6
|
0
|
-66.235
|
'I4/mcm' |
140 |
MatHub3d-40856-Dy10In6 |
Band
|
|
Dy1In1Pd2
|
0
|
-16.914
|
'Fm-3m' |
225 |
MatHub3d-40402-Dy1In1Pd2 |
Band
|
|
Dy3In3Pt3
|
0
|
-41.905
|
'P-62m' |
189 |
MatHub3d-40629-Dy3In3Pt3 |
Band
|
|
Dy3In3Rh3
|
0
|
-40.089
|
'P-62m' |
189 |
MatHub3d-40630-Dy3In3Rh3 |
Band
|
|
Dy2Ir4
|
0
|
-38.235
|
'Fd-3m' |
227 |
MatHub3d-40541-Dy2Ir4 |
Band
|
|
Dy1Ir3
|
0
|
-24.675
|
'Pm-3m' |
221 |
MatHub3d-40412-Dy1Ir3 |
Band
|
|
Er1Ga2
|
0
|
-12.032
|
'P6/mmm' |
191 |
MatHub3d-40914-Er1Ga2 |
Band
|
|
Er1Ga3
|
0
|
-15.094
|
'Pm-3m' |
221 |
MatHub3d-40915-Er1Ga3 |
Band
|
|
Er10Ga6
|
0
|
-69.284
|
'P6_3/mcm' |
193 |
MatHub3d-41394-Er10Ga6 |
Band
|
|
Er1Ga4Ti2
|
0
|
-29.007
|
'I4/mmm' |
139 |
MatHub3d-40916-Er1Ga4Ti2 |
Band
|
|
Er1Ga4V2
|
0
|
-31.411
|
'I4/mmm' |
139 |
MatHub3d-40917-Er1Ga4V2 |
Band
|
|
Er1Hg1
|
0
|
-5.656
|
'Pm-3m' |
221 |
MatHub3d-40926-Er1Hg1 |
Band
|
|
Er1Hg2
|
0
|
-5.955
|
'P6/mmm' |
191 |
MatHub3d-40927-Er1Hg2 |
Band
|
|
Er1In1
|
0
|
-7.812
|
'Pm-3m' |
221 |
MatHub3d-40937-Er1In1 |
Band
|
|
Er1In3
|
0
|
-13.346
|
'Pm-3m' |
221 |
MatHub3d-40947-Er1In3 |
Band
|
|
Er4In2
|
0
|
-24.938
|
'P6_3/mmc' |
194 |
MatHub3d-41227-Er4In2 |
Band
|
|
Er1In1Pd2
|
0
|
-16.942
|
'Fm-3m' |
225 |
MatHub3d-40939-Er1In1Pd2 |
Band
|
|
Er3In3Rh3
|
0
|
-39.980
|
'P-62m' |
189 |
MatHub3d-41172-Er3In3Rh3 |
Band
|
|
Er1Ir1
|
0
|
-12.482
|
'Pm-3m' |
221 |
MatHub3d-40948-Er1Ir1 |
Band
|