MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Nd1Pt5
|
0
|
-28.656
|
'P6/mmm' |
191 |
MatHub3d-67119-Nd1Pt5 |
Band
|
|
Nd2Rh4
|
0
|
-29.465
|
'Fd-3m' |
227 |
MatHub3d-67196-Nd2Rh4 |
Band
|
|
Nd2Ru4
|
0
|
-33.227
|
'Fd-3m' |
227 |
MatHub3d-67199-Nd2Ru4 |
Band
|
|
Nd1Sn3
|
0
|
-18.231
|
'Pm-3m' |
221 |
MatHub3d-67136-Nd1Sn3 |
Band
|
|
Nd1Tl1
|
0
|
-7.728
|
'Pm-3m' |
221 |
MatHub3d-67139-Nd1Tl1 |
Band
|
|
Nd1Tl3
|
0
|
-12.607
|
'Pm-3m' |
221 |
MatHub3d-67140-Nd1Tl3 |
Band
|
|
Nd4Tl2
|
0
|
-24.928
|
'P6_3/mmc' |
194 |
MatHub3d-67305-Nd4Tl2 |
Band
|
|
Nd3Tl1
|
0
|
-17.211
|
'Pm-3m' |
221 |
MatHub3d-67231-Nd3Tl1 |
Band
|
|
Nd1Zn1
|
0
|
-5.616
|
'Pm-3m' |
221 |
MatHub3d-67145-Nd1Zn1 |
Band
|
|
Nd2Zn4
|
0
|
-12.625
|
'Imma' |
74 |
MatHub3d-67214-Nd2Zn4 |
Band
|
|
Ni4Np2
|
0
|
-34.527
|
'Fd-3m' |
227 |
MatHub3d-67704-Ni4Np2 |
Band
|
|
Ni6P3
|
0
|
-35.874
|
'P-62m' |
189 |
MatHub3d-67865-Ni6P3 |
Band
|
|
Ni4Pr2
|
0
|
-20.055
|
'Fd-3m' |
227 |
MatHub3d-67768-Ni4Pr2 |
Band
|
|
Ni5Pr1
|
0
|
-17.991
|
'P6/mmm' |
191 |
MatHub3d-67838-Ni5Pr1 |
Band
|
|
Ni1Pt1
|
0
|
-6.891
|
'P4/mmm' |
123 |
MatHub3d-67448-Ni1Pt1 |
Band
|
|
Ni4Pu2
|
0
|
-36.176
|
'Fd-3m' |
227 |
MatHub3d-67770-Ni4Pu2 |
Band
|
|
Ni9Pu3
|
0
|
-62.395
|
'R-3m' |
166 |
MatHub3d-67953-Ni9Pu3 |
Band
|
|
Ni12Pu3
|
0
|
-68.345
|
'C2/m' |
12 |
MatHub3d-67982-Ni12Pu3 |
Band
|
|
Ni5Pu1
|
0
|
-26.551
|
'P6/mmm' |
191 |
MatHub3d-67839-Ni5Pu1 |
Band
|
|
Ni1Rh2Sn1
|
0
|
-15.980
|
'Fm-3m' |
225 |
MatHub3d-67454-Ni1Rh2Sn1 |
Band
|
|
Ni1Sb1Y1
|
0
|
-15.748
|
'F-43m' |
216 |
MatHub3d-67473-Ni1Sb1Y1 |
Band
|
|
Ni1Sb1Yb1
|
0
|
-9.936
|
'F-43m' |
216 |
MatHub3d-67474-Ni1Sb1Yb1 |
Band
|
|
Ni1Sc1
|
0
|
-8.287
|
'Pm-3m' |
221 |
MatHub3d-67476-Ni1Sc1 |
Band
|
|
Ni4Sc2
|
0
|
-21.965
|
'Fd-3m' |
227 |
MatHub3d-67785-Ni4Sc2 |
Band
|
|
Ni5Sc1
|
0
|
-18.488
|
'P6/mmm' |
191 |
MatHub3d-67840-Ni5Sc1 |
Band
|