MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
In2Np4Pt4
|
0
|
-76.262
|
'P4/mbm' |
127 |
MatHub3d-55697-In2Np4Pt4 |
Band
|
|
In2Np4Rh4
|
0
|
-75.143
|
'P4/mbm' |
127 |
MatHub3d-55698-In2Np4Rh4 |
Band
|
|
In2Pd4U4
|
0
|
-64.059
|
'P4/mbm' |
127 |
MatHub3d-55728-In2Pd4U4 |
Band
|
|
In2Rh4U4
|
0
|
-69.799
|
'P4/mbm' |
127 |
MatHub3d-55743-In2Rh4U4 |
Band
|
|
Ce1Ge2Mn2
|
0
|
-33.147
|
'I4/mmm' |
139 |
MatHub3d-27715-Ce1Ge2Mn2 |
Band
|
|
Cr4Zr2
|
0
|
-38.531
|
'Fd-3m' |
227 |
MatHub3d-35627-Cr4Zr2 |
Band
|
|
B4Sc2
|
0
|
-35.478
|
'Fd-3m' |
227 |
MatHub3d-9815-B4Sc2 |
Band
|
|
Lu2Ni2Sn8
|
0
|
-48.582
|
'Cmmm' |
65 |
MatHub3d-62308-Lu2Ni2Sn8 |
Band
|
|
Al1Np3
|
0
|
-40.652
|
'Pm-3m' |
221 |
MatHub3d-2290-Al1Np3 |
Band
|
|
In1Np3
|
0
|
-38.866
|
'Pm-3m' |
221 |
MatHub3d-55540-In1Np3 |
Band
|
|
Ge8Pd4Tb4
|
0
|
-79.695
|
'Immm' |
71 |
MatHub3d-50981-Ge8Pd4Tb4 |
Band
|
|
Bi1Np1
|
0
|
-16.365
|
'Fm-3m' |
225 |
MatHub3d-15649-Bi1Np1 |
Band
|
|
Np1Se1
|
0
|
-18.306
|
'Fm-3m' |
225 |
MatHub3d-68097-Np1Se1 |
Band
|
|
Bi1Pu1
|
0
|
-18.557
|
'Fm-3m' |
225 |
MatHub3d-15680-Bi1Pu1 |
Band
|
|
Am1Te1
|
0
|
-17.695
|
'Fm-3m' |
225 |
MatHub3d-5025-Am1Te1 |
Band
|
|
In3Np1
|
0
|
-20.060
|
'Pm-3m' |
221 |
MatHub3d-55811-In3Np1 |
Band
|
|
Np1Rh2Si2
|
0
|
-35.659
|
'I4/mmm' |
139 |
MatHub3d-68088-Np1Rh2Si2 |
Band
|
|
Cr2Pu1Si2
|
0
|
-37.492
|
'I4/mmm' |
139 |
MatHub3d-34853-Cr2Pu1Si2 |
Band
|
|
Mn2Pu1Si2
|
0
|
-34.052
|
'I4/mmm' |
139 |
MatHub3d-63507-Mn2Pu1Si2 |
Band
|
|
Fe2Pu1Si2
|
0
|
-36.266
|
'I4/mmm' |
139 |
MatHub3d-46689-Fe2Pu1Si2 |
Band
|
|
Ni2Pu1Si2
|
0
|
-32.914
|
'I4/mmm' |
139 |
MatHub3d-67587-Ni2Pu1Si2 |
Band
|
|
Cu2Pu1Si2
|
0
|
-31.518
|
'I4/mmm' |
139 |
MatHub3d-38775-Cu2Pu1Si2 |
Band
|
|
Co1In8Tm2
|
0
|
-34.750
|
'P4/mmm' |
123 |
MatHub3d-31404-Co1In8Tm2 |
Band
|
|
Mg8Tm4
|
0
|
-30.620
|
'P6_3/mmc' |
194 |
MatHub3d-63074-Mg8Tm4 |
Band
|
|
In2La4Rh4
|
0
|
-46.602
|
'P4/mbm' |
127 |
MatHub3d-55633-In2La4Rh4 |
Band
|