MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ag1Hg2Nd1
|
0
|
-7.416
|
'Fm-3m' |
225 |
MatHub3d-289-Ag1Hg2Nd1 |
Band
|
|
Ag1Hg2Pm1
|
0
|
-7.380
|
'Fm-3m' |
225 |
MatHub3d-290-Ag1Hg2Pm1 |
Band
|
|
Ag1Hg2Pr1
|
0
|
-7.439
|
'Fm-3m' |
225 |
MatHub3d-291-Ag1Hg2Pr1 |
Band
|
|
Ag1Hg2Sm1
|
0
|
-7.317
|
'Fm-3m' |
225 |
MatHub3d-292-Ag1Hg2Sm1 |
Band
|
|
Ag1Hg2Tb1
|
0
|
-7.183
|
'Fm-3m' |
225 |
MatHub3d-293-Ag1Hg2Tb1 |
Band
|
|
Ag1Hg2Ti1
|
0
|
-6.141
|
'P4/mmm' |
123 |
MatHub3d-294-Ag1Hg2Ti1 |
Band
|
|
Ag1Hg2Y1
|
0
|
-9.065
|
'Fm-3m' |
225 |
MatHub3d-295-Ag1Hg2Y1 |
Band
|
|
Ag1Ho1
|
0
|
-5.832
|
'Pm-3m' |
221 |
MatHub3d-296-Ag1Ho1 |
Band
|
|
Ag1Ho2In1
|
0
|
-13.809
|
'Fm-3m' |
225 |
MatHub3d-297-Ag1Ho2In1 |
Band
|
|
Ag1Ho2Ir1
|
0
|
-18.427
|
'Fm-3m' |
225 |
MatHub3d-298-Ag1Ho2Ir1 |
Band
|
|
Ag1Ho2Tl1
|
0
|
-13.369
|
'Fm-3m' |
225 |
MatHub3d-299-Ag1Ho2Tl1 |
Band
|
|
Ag1I1
|
0.371
|
-2.578
|
'Pm-3m' |
221 |
MatHub3d-300-Ag1I1 |
Transport
|
|
Ag1I1
|
2.006
|
-3.312
|
'I-4m2' |
119 |
MatHub3d-301-Ag1I1 |
Transport
|
|
Ag1I2
|
0
|
-4.285
|
'P-4m2' |
115 |
MatHub3d-302-Ag1I2 |
Band
|
|
Ag1In1Li2
|
0
|
-8.186
|
'F-43m' |
216 |
MatHub3d-303-Ag1In1Li2 |
Band
|
|
Ag1In1Lu2
|
0
|
-13.587
|
'Fm-3m' |
225 |
MatHub3d-304-Ag1In1Lu2 |
Band
|
|
Ag1In1O2
|
0.658
|
-17.825
|
'R-3m' |
166 |
MatHub3d-305-Ag1In1O2 |
Transport
|
|
Ag1In1Pm2
|
0
|
-14.114
|
'Fm-3m' |
225 |
MatHub3d-306-Ag1In1Pm2 |
Band
|
|
Ag1In1S2
|
0.520
|
-13.395
|
'R-3m' |
166 |
MatHub3d-307-Ag1In1S2 |
Transport
|
|
Ag1In1S2
|
0.688
|
-13.267
|
'C2/m' |
12 |
MatHub3d-308-Ag1In1S2 |
Transport
|
|
Ag1In1S2
|
0
|
-12.774
|
'P-6m2' |
187 |
MatHub3d-309-Ag1In1S2 |
Band
|
|
Ag1In1Sc2
|
0
|
-14.801
|
'Fm-3m' |
225 |
MatHub3d-310-Ag1In1Sc2 |
Band
|
|
Ag1In5S8
|
0.197
|
-54.116
|
'F-43m' |
216 |
MatHub3d-311-Ag1In5S8 |
Transport
|
|
Ag1In5Se8
|
0.397
|
-48.651
|
'P-42m' |
111 |
MatHub3d-312-Ag1In5Se8 |
Transport
|
|
Ag1In5Te8
|
0.347
|
-42.935
|
'P-42m' |
111 |
MatHub3d-313-Ag1In5Te8 |
Transport
|