MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ni4Sc4Si4
|
0
|
-61.465
|
'Pnma' |
62 |
MatHub3d-67787-Ni4Sc4Si4 |
Band
|
|
Ni4Sc4Sn4
|
0
|
-52.811
|
'Pnma' |
62 |
MatHub3d-67789-Ni4Sc4Sn4 |
Band
|
|
Ni2Sc1Sn1
|
0
|
-16.009
|
'Fm-3m' |
225 |
MatHub3d-67610-Ni2Sc1Sn1 |
Band
|
|
Ni4Sc1Sn1
|
0
|
-20.759
|
'F-43m' |
216 |
MatHub3d-67784-Ni4Sc1Sn1 |
Band
|
|
Ni4Si2
|
0
|
-23.859
|
'P6_3/mmc' |
194 |
MatHub3d-67797-Ni4Si2 |
Band
|
|
Ni3Si1
|
0
|
-14.471
|
'Pm-3m' |
221 |
MatHub3d-67694-Ni3Si1 |
Band
|
|
Ni2Si2Tb1
|
0
|
-24.491
|
'I4/mmm' |
139 |
MatHub3d-67621-Ni2Si2Tb1 |
Band
|
|
Ni4Sm2
|
0
|
-20.383
|
'Fd-3m' |
227 |
MatHub3d-67806-Ni4Sm2 |
Band
|
|
Ni5Sm1
|
0
|
-18.124
|
'P6/mmm' |
191 |
MatHub3d-67841-Ni5Sm1 |
Band
|
|
Ni3Sn1
|
0
|
-12.109
|
'Pm-3m' |
221 |
MatHub3d-67695-Ni3Sn1 |
Band
|
|
Ni3Sn1
|
0
|
-12.054
|
'Fm-3m' |
225 |
MatHub3d-67696-Ni3Sn1 |
Band
|
|
Ni6Sn2
|
0
|
-24.215
|
'P6_3/mmc' |
194 |
MatHub3d-67885-Ni6Sn2 |
Band
|
|
Ni3Sn4
|
0
|
-24.830
|
'C2/m' |
12 |
MatHub3d-67697-Ni3Sn4 |
Band
|
|
Ni1Sn3Sr1
|
0
|
-17.864
|
'I4mm' |
107 |
MatHub3d-67495-Ni1Sn3Sr1 |
Band
|
|
Ni1Sn1Ti1
|
0
|
-10.378
|
'F-43m' |
216 |
MatHub3d-67486-Ni1Sn1Ti1 |
Band
|
|
Ni2Sn1Ti1
|
0
|
-15.361
|
'Fm-3m' |
225 |
MatHub3d-67633-Ni2Sn1Ti1 |
Band
|
|
Ni1Sn1U1
|
0
|
-17.831
|
'F-43m' |
216 |
MatHub3d-67489-Ni1Sn1U1 |
Band
|
|
Ni2Sn1V1
|
0
|
-16.103
|
'Fm-3m' |
225 |
MatHub3d-67636-Ni2Sn1V1 |
Band
|
|
Ni4Sn4Y4
|
0
|
-58.866
|
'Pnma' |
62 |
MatHub3d-67814-Ni4Sn4Y4 |
Band
|
|
Ni2Sn1Yb1
|
0
|
-11.859
|
'Fm-3m' |
225 |
MatHub3d-67638-Ni2Sn1Yb1 |
Band
|
|
Ni2Sn1Zr1
|
0
|
-19.470
|
'Fm-3m' |
225 |
MatHub3d-67639-Ni2Sn1Zr1 |
Band
|
|
Ni4Sn1Zr1
|
0
|
-24.209
|
'F-43m' |
216 |
MatHub3d-67809-Ni4Sn1Zr1 |
Band
|
|
Ni2Ta1
|
0
|
-15.649
|
'I4/mmm' |
139 |
MatHub3d-67641-Ni2Ta1 |
Band
|
|
Ni3Ta1
|
0
|
-18.410
|
'I4/mmm' |
139 |
MatHub3d-67698-Ni3Ta1 |
Band
|
|
Ni6Ta2
|
0
|
-36.757
|
'Pmmn' |
59 |
MatHub3d-67887-Ni6Ta2 |
Band
|