MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
In2Ni4Sc4
|
0
|
-39.588
|
'P4/mbm' |
127 |
MatHub3d-55690-In2Ni4Sc4 |
Band
|
|
Ce4In2Pd4
|
0
|
-42.088
|
'P4/mbm' |
127 |
MatHub3d-28217-Ce4In2Pd4 |
Band
|
|
Gd4In2Pd4
|
0
|
-45.094
|
'P4/mbm' |
127 |
MatHub3d-49734-Gd4In2Pd4 |
Band
|
|
Dy4In2Pd4
|
0
|
-45.002
|
'P4/mbm' |
127 |
MatHub3d-40679-Dy4In2Pd4 |
Band
|
|
In2Pd4Yb4
|
0
|
-32.547
|
'P4/mbm' |
127 |
MatHub3d-55729-In2Pd4Yb4 |
Band
|
|
Pt4Pu4Sn2
|
0
|
-87.588
|
'P4/mbm' |
127 |
MatHub3d-72193-Pt4Pu4Sn2 |
Band
|
|
In2Pd4Pu4
|
0
|
-78.819
|
'P4/mbm' |
127 |
MatHub3d-55722-In2Pd4Pu4 |
Band
|
|
Co4In2U4
|
0
|
-60.658
|
'P4/mbm' |
127 |
MatHub3d-32840-Co4In2U4 |
Band
|
|
Co4Sn2U4
|
0
|
-64.514
|
'P4/mbm' |
127 |
MatHub3d-33183-Co4Sn2U4 |
Band
|
|
Ru4Sn2U4
|
0
|
-78.499
|
'P4/mbm' |
127 |
MatHub3d-72811-Ru4Sn2U4 |
Band
|
|
Pd4Sn2U4
|
0
|
-67.748
|
'P4/mbm' |
127 |
MatHub3d-71853-Pd4Sn2U4 |
Band
|
|
In2Ni4Zr4
|
0
|
-53.228
|
'P4/mbm' |
127 |
MatHub3d-55694-In2Ni4Zr4 |
Band
|
|
Al2H4O9Si2
|
4.928
|
-114.621
|
'P1' |
1 |
MatHub3d-2701-Al2H4O9Si2 |
Transport
|
|
Cd2La4Rh4
|
0
|
-41.487
|
'P4/mbm' |
127 |
MatHub3d-26995-Cd2La4Rh4 |
Band
|
|
Bi6Eu8
|
0
|
-52.582
|
'I-43d' |
220 |
MatHub3d-16577-Bi6Eu8 |
Band
|
|
Al1Co2Dy2
|
0
|
-19.768
|
'Immm' |
71 |
MatHub3d-2050-Al1Co2Dy2 |
Band
|
|
Al1Co2Tb2
|
0
|
-19.744
|
'Immm' |
71 |
MatHub3d-2061-Al1Co2Tb2 |
Band
|
|
In3Pd3Tb3
|
0
|
-38.159
|
'P-62m' |
189 |
MatHub3d-55816-In3Pd3Tb3 |
Band
|
|
Al3Dy3Ni3
|
0
|
-37.256
|
'P-62m' |
189 |
MatHub3d-3002-Al3Dy3Ni3 |
Band
|
|
Ca1Mg1Ni4
|
0
|
-13.894
|
'F-43m' |
216 |
MatHub3d-24887-Ca1Mg1Ni4 |
Band
|
|
Ce1Mg1Ni4
|
0
|
-16.483
|
'F-43m' |
216 |
MatHub3d-27751-Ce1Mg1Ni4 |
Band
|
|
Mg1Ni4Pr1
|
0
|
-17.304
|
'F-43m' |
216 |
MatHub3d-62519-Mg1Ni4Pr1 |
Band
|
|
Au2Na8Tl2
|
0
|
-19.735
|
'Fmmm' |
69 |
MatHub3d-7817-Au2Na8Tl2 |
Band
|
|
Al2Pt6
|
0
|
-36.860
|
'P4/mbm' |
127 |
MatHub3d-2912-Al2Pt6 |
Band
|
|
Mn6Sn6Tm1
|
0
|
-69.746
|
'P6/mmm' |
191 |
MatHub3d-63909-Mn6Sn6Tm1 |
Band
|