MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Pt1Sb1Sc1
|
0.640
|
-19.978
|
'F-43m' |
216.0 |
HHgmh-121-Pt1Sb1Sc1 |
Thermal properties
|
|
Pt1Si1Ti1
|
0.889
|
-22.202
|
'F-43m' |
216.0 |
HHgmh-122-Pt1Si1Ti1 |
Thermal properties
|
|
Pt1Si1Zr1
|
1.336
|
-23.139
|
'F-43m' |
216.0 |
HHgmh-123-Pt1Si1Zr1 |
Thermal properties
|
|
Pt1Sn1Th1
|
0.548
|
-18.462
|
'F-43m' |
216.0 |
HHgmh-124-Pt1Sn1Th1 |
Thermal properties
|
|
Pt1Sn1Ti1
|
0.787
|
-20.242
|
'F-43m' |
216.0 |
HHgmh-125-Pt1Sn1Ti1 |
Thermal properties
|
|
Pt1Sn1Zr1
|
0.829
|
-19.467
|
'F-43m' |
216.0 |
HHgmh-126-Pt1Sn1Zr1 |
Thermal properties
|
|
Pt1Ta1Tl1
|
0.975
|
-20.237
|
'F-43m' |
216.0 |
HHgmh-127-Pt1Ta1Tl1 |
Thermal properties
|
|
Rh1Sb1Th1
|
0.647
|
-18.871
|
'F-43m' |
216.0 |
HHgmh-128-Rh1Sb1Th1 |
Thermal properties
|
|
Ru1Sb1Ta1
|
0.655
|
-26.253
|
'F-43m' |
216.0 |
HHgmh-129-Ru1Sb1Ta1 |
Thermal properties
|
|
As1Li1Mg1
|
1.367
|
-10.343
|
'F-43m' |
216.0 |
HHgmh-13-As1Li1Mg1 |
Thermal properties
|
|
Ru1Sb1V1
|
0.191
|
-22.958
|
'F-43m' |
216.0 |
HHgmh-130-Ru1Sb1V1 |
Thermal properties
|
|
As1Li1Zn1
|
0.923
|
-8.638
|
'F-43m' |
216.0 |
HHgmh-14-As1Li1Zn1 |
Thermal properties
|
|
As1Rh1Ti1
|
1.107
|
-16.035
|
'F-43m' |
216.0 |
HHgmh-15-As1Rh1Ti1 |
Thermal properties
|
|
As1Rh1Zr1
|
1.175
|
-20.375
|
'F-43m' |
216.0 |
HHgmh-16-As1Rh1Zr1 |
Thermal properties
|
|
Au1Ge1Sc1
|
0.280
|
-16.097
|
'F-43m' |
216.0 |
HHgmh-17-Au1Ge1Sc1 |
Thermal properties
|
|
Au1In1Zr1
|
0.446
|
-15.776
|
'F-43m' |
216.0 |
HHgmh-18-Au1In1Zr1 |
Thermal properties
|
|
Au1Sc1Sn1
|
0.126
|
-15.619
|
'F-43m' |
216.0 |
HHgmh-19-Au1Sc1Sn1 |
Thermal properties
|
|
Ag1Ca1P1
|
1.004
|
-10.335
|
'F-43m' |
216.0 |
HHgmh-2-Ag1Ca1P1 |
Thermal properties
|
|
Ba1K1P1
|
1.117
|
-10.384
|
'F-43m' |
216.0 |
HHgmh-20-Ba1K1P1 |
Thermal properties
|
|
Ba1Na1Sb1
|
1.229
|
-9.732
|
'F-43m' |
216.0 |
HHgmh-21-Ba1Na1Sb1 |
Thermal properties
|
|
Ba1Sn1Sr1
|
0.295
|
-8.962
|
'F-43m' |
216.0 |
HHgmh-22-Ba1Sn1Sr1 |
Thermal properties
|
|
Bi1Ce1Pd1
|
0
|
-17.532
|
'F-43m' |
216.0 |
HHgmh-23-Bi1Ce1Pd1 |
Thermal properties
|
|
Bi1Co1Zr1
|
0.985
|
-20.754
|
'F-43m' |
216.0 |
HHgmh-24-Bi1Co1Zr1 |
Thermal properties
|
|
Bi1Dy1Ni1
|
0.203
|
-15.961
|
'F-43m' |
216.0 |
HHgmh-25-Bi1Dy1Ni1 |
Thermal properties
|
|
Bi1Gd1Ni1
|
0.241
|
-16.031
|
'F-43m' |
216.0 |
HHgmh-26-Bi1Gd1Ni1 |
Thermal properties
|