MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ag1B1Zr1
|
0.363
|
-15.990
|
'F-43m' |
216 |
HHgmh-1-Ag1B1Zr1 |
Thermal properties
|
|
As1Co1Ti1
|
1.040
|
-14.279
|
'F-43m' |
216 |
HHgmh-10-As1Co1Ti1 |
Thermal properties
|
|
Nb1Pt1Tl1
|
0.542
|
-14.804
|
'F-43m' |
216 |
HHgmh-100-Nb1Pt1Tl1 |
Thermal properties
|
|
Nb1Rh1Sn1
|
0.796
|
-17.864
|
'F-43m' |
216 |
HHgmh-101-Nb1Rh1Sn1 |
Thermal properties
|
|
Nb1Ru1Sb1
|
0.364
|
-24.809
|
'F-43m' |
216 |
HHgmh-102-Nb1Ru1Sb1 |
Thermal properties
|
|
Ni1P1Sc1
|
0.575
|
-20.240
|
'F-43m' |
216 |
HHgmh-103-Ni1P1Sc1 |
Thermal properties
|
|
Ni1P1Y1
|
0.601
|
-20.152
|
'F-43m' |
216 |
HHgmh-104-Ni1P1Y1 |
Thermal properties
|
|
Ni1Sb1Sc1
|
0.251
|
-18.558
|
'F-43m' |
216 |
HHgmh-105-Ni1Sb1Sc1 |
Thermal properties
|
|
Ni1Sb1Tb1
|
0.319
|
-16.892
|
'F-43m' |
216 |
HHgmh-106-Ni1Sb1Tb1 |
Thermal properties
|
|
Ni1Sb1Tm1
|
0.239
|
-16.786
|
'F-43m' |
216 |
HHgmh-107-Ni1Sb1Tm1 |
Thermal properties
|
|
Ni1Sb1Y1
|
0.283
|
-18.785
|
'F-43m' |
216 |
HHgmh-108-Ni1Sb1Y1 |
Thermal properties
|
|
Ni1Sn1Th1
|
0
|
-15.692
|
'F-43m' |
216 |
HHgmh-109-Ni1Sn1Th1 |
Thermal properties
|
|
As1Co1Zr1
|
1.238
|
-18.445
|
'F-43m' |
216 |
HHgmh-11-As1Co1Zr1 |
Thermal properties
|
|
Ni1Sn1Ti1
|
0.427
|
-18.748
|
'F-43m' |
216 |
HHgmh-110-Ni1Sn1Ti1 |
Thermal properties
|
|
Ni1Sn1Zr1
|
0.243
|
-16.808
|
'F-43m' |
216 |
HHgmh-111-Ni1Sn1Zr1 |
Thermal properties
|
|
Os1Te1Ti1
|
0.417
|
-23.227
|
'F-43m' |
216 |
HHgmh-112-Os1Te1Ti1 |
Thermal properties
|
|
Pb1Pt1Ti1
|
0.546
|
-13.622
|
'F-43m' |
216 |
HHgmh-113-Pb1Pt1Ti1 |
Thermal properties
|
|
Pb1Pt1Zr1
|
0.628
|
-18.178
|
'F-43m' |
216 |
HHgmh-114-Pb1Pt1Zr1 |
Thermal properties
|
|
Pd1Sb1Sc1
|
0.275
|
-18.702
|
'F-43m' |
216 |
HHgmh-115-Pd1Sb1Sc1 |
Thermal properties
|
|
Pd1Sb1Tm1
|
0
|
-15.257
|
'F-43m' |
216 |
HHgmh-116-Pd1Sb1Tm1 |
Thermal properties
|
|
Pd1Si1Ti1
|
0.768
|
-20.423
|
'F-43m' |
216 |
HHgmh-117-Pd1Si1Ti1 |
Thermal properties
|
|
Pd1Si1Zr1
|
0.744
|
-21.480
|
'F-43m' |
216 |
HHgmh-118-Pd1Si1Zr1 |
Thermal properties
|
|
Pd1Sn1Ti1
|
0.467
|
-18.632
|
'F-43m' |
216 |
HHgmh-119-Pd1Sn1Ti1 |
Thermal properties
|
|
As1Hf1Rh1
|
0.346
|
-21.616
|
'F-43m' |
216 |
HHgmh-12-As1Hf1Rh1 |
Thermal properties
|
|
Pd1Sn1Zr1
|
0.263
|
-17.972
|
'F-43m' |
216 |
HHgmh-120-Pd1Sn1Zr1 |
Thermal properties
|