MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Pb2Th2
|
0
|
-22.980
|
'I4_1/amd' |
141 |
MatHub3d-71596-Pb2Th2 |
Band
|
|
Pb3Th1
|
0
|
-19.043
|
'Pm-3m' |
221 |
MatHub3d-71611-Pb3Th1 |
Band
|
|
Pb3Tm1
|
0
|
-16.021
|
'Pm-3m' |
221 |
MatHub3d-71612-Pb3Tm1 |
Band
|
|
Pb2U2
|
0
|
-28.048
|
'I4_1/amd' |
141 |
MatHub3d-71599-Pb2U2 |
Band
|
|
Pb3U1
|
0
|
-21.183
|
'Pm-3m' |
221 |
MatHub3d-71613-Pb3U1 |
Band
|
|
Pb2V6
|
0
|
-42.353
|
'Pm-3n' |
223 |
MatHub3d-71600-Pb2V6 |
Band
|
|
Pb4Y2
|
0
|
-29.475
|
'Cmcm' |
63 |
MatHub3d-71639-Pb4Y2 |
Band
|
|
Pb3Y1
|
0
|
-18.278
|
'Pm-3m' |
221 |
MatHub3d-71614-Pb3Y1 |
Band
|
|
Pb1Yb1
|
0
|
-6.146
|
'P4/mmm' |
123 |
MatHub3d-71560-Pb1Yb1 |
Band
|
|
Pb4Yb8
|
0
|
-32.751
|
'Pnma' |
62 |
MatHub3d-71640-Pb4Yb8 |
Band
|
|
Pb3Yb1
|
0
|
-13.598
|
'Pm-3m' |
221 |
MatHub3d-71615-Pb3Yb1 |
Band
|
|
Pd3Pr1
|
0
|
-17.766
|
'Pm-3m' |
221 |
MatHub3d-71795-Pd3Pr1 |
Band
|
|
Pd4Pr4Sn4
|
0
|
-58.052
|
'Pnma' |
62 |
MatHub3d-71828-Pd4Pr4Sn4 |
Band
|
|
Pd3Pr3Tl3
|
0
|
-31.339
|
'P-62m' |
189 |
MatHub3d-71797-Pd3Pr3Tl3 |
Band
|
|
Pd3Pu1
|
0
|
-26.209
|
'Pm-3m' |
221 |
MatHub3d-71799-Pd3Pu1 |
Band
|
|
Pd1Sc1
|
0.038
|
-10.095
|
'Pm-3m' |
221 |
MatHub3d-71702-Pd1Sc1 |
Band
|
|
Pd3Sc1
|
0
|
-18.336
|
'Pm-3m' |
221 |
MatHub3d-71802-Pd3Sc1 |
Band
|
|
Pd2Sc1Sn1
|
0
|
-19.164
|
'Fm-3m' |
225 |
MatHub3d-71747-Pd2Sc1Sn1 |
Band
|
|
Pd3Sm1
|
0
|
-17.940
|
'Pm-3m' |
221 |
MatHub3d-71803-Pd3Sm1 |
Band
|
|
Pd4Sm4Sn4
|
0
|
-57.977
|
'Pnma' |
62 |
MatHub3d-71852-Pd4Sm4Sn4 |
Band
|
|
Pd3Sm3Tl3
|
0
|
-36.272
|
'P-62m' |
189 |
MatHub3d-71804-Pd3Sm3Tl3 |
Band
|
|
Pd3Sn1
|
0
|
-16.096
|
'P4/mmm' |
123 |
MatHub3d-71806-Pd3Sn1 |
Band
|
|
Pd1Sn3Sr1
|
0
|
-19.448
|
'I4mm' |
107 |
MatHub3d-71714-Pd1Sn3Sr1 |
Band
|
|
Pd2Sn1Y1
|
0
|
-20.543
|
'Fm-3m' |
225 |
MatHub3d-71767-Pd2Sn1Y1 |
Band
|
|
Pd1Sn1Zr1
|
0.089
|
-16.403
|
'F-43m' |
216 |
MatHub3d-71712-Pd1Sn1Zr1 |
Band
|