MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ni4Tb12
|
0
|
-67.791
|
'Pnma' |
62 |
MatHub3d-67820-Ni4Tb12 |
Band
|
|
Ni5Tb1
|
0
|
-18.230
|
'P6/mmm' |
191 |
MatHub3d-67842-Ni5Tb1 |
Band
|
|
Ni8Th8
|
0
|
-84.899
|
'Pnma' |
62 |
MatHub3d-67944-Ni8Th8 |
Band
|
|
Ni2Th1
|
0
|
-13.442
|
'P6/mmm' |
191 |
MatHub3d-67648-Ni2Th1 |
Band
|
|
Ni5Th1
|
0
|
-21.563
|
'P6/mmm' |
191 |
MatHub3d-67843-Ni5Th1 |
Band
|
|
Ni2Ti2
|
0
|
-15.442
|
'P2_1/m' |
11 |
MatHub3d-67650-Ni2Ti2 |
Band
|
|
Ni2Tl2
|
0
|
-8.476
|
'P6_3/mmc' |
194 |
MatHub3d-67652-Ni2Tl2 |
Band
|
|
Ni4Tm4
|
0
|
-31.203
|
'Pnma' |
62 |
MatHub3d-67822-Ni4Tm4 |
Band
|
|
Ni4Tm2
|
0
|
-20.837
|
'Fd-3m' |
227 |
MatHub3d-67821-Ni4Tm2 |
Band
|
|
Ni5Tm1
|
0
|
-18.234
|
'P6/mmm' |
191 |
MatHub3d-67844-Ni5Tm1 |
Band
|
|
Ni2U12
|
0
|
-138.521
|
'I4/mcm' |
140 |
MatHub3d-67653-Ni2U12 |
Band
|
|
Ni8U4
|
0
|
-65.486
|
'P6_3/mmc' |
194 |
MatHub3d-67948-Ni8U4 |
Band
|
|
Ni4U1Zn1
|
0
|
-22.373
|
'F-43m' |
216 |
MatHub3d-67823-Ni4U1Zn1 |
Band
|
|
Ni2V1
|
0
|
-11.391
|
'Immm' |
71 |
MatHub3d-67654-Ni2V1 |
Band
|
|
Ni3V1
|
0
|
-13.935
|
'I4/mmm' |
139 |
MatHub3d-67701-Ni3V1 |
Band
|
|
Ni4W1
|
0
|
-19.997
|
'I4/m' |
87 |
MatHub3d-67824-Ni4W1 |
Band
|
|
Ni4Y4
|
0
|
-38.536
|
'Pnma' |
62 |
MatHub3d-67826-Ni4Y4 |
Band
|
|
Ni9Y3
|
0
|
-44.627
|
'R-3m' |
166 |
MatHub3d-67956-Ni9Y3 |
Band
|
|
Ni5Y1
|
0
|
-20.081
|
'P6/mmm' |
191 |
MatHub3d-67846-Ni5Y1 |
Band
|
|
Ni4Yb2
|
0
|
-14.636
|
'Fd-3m' |
227 |
MatHub3d-67827-Ni4Yb2 |
Band
|
|
Ni5Yb1
|
0
|
-14.864
|
'P6/mmm' |
191 |
MatHub3d-67847-Ni5Yb1 |
Band
|
|
Ni1Zn1
|
0
|
-3.472
|
'P4/mmm' |
123 |
MatHub3d-67502-Ni1Zn1 |
Band
|
|
Ni1Zn1
|
0
|
-1.390
|
'F-43m' |
216 |
MatHub3d-67503-Ni1Zn1 |
Band
|
|
Ni4Zn22
|
0
|
-22.447
|
'I-43m' |
217 |
MatHub3d-67829-Ni4Zn22 |
Band
|
|
Ni4Zn1Zr1
|
0
|
-20.670
|
'F-43m' |
216 |
MatHub3d-67828-Ni4Zn1Zr1 |
Band
|