MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ge2Sr1
|
0
|
-12.161
|
'P-3m1' |
164 |
MatHub3d-50363-Ge2Sr1 |
Band
|
|
Cu6K2S4
|
0.730
|
-39.273
|
'C2/m' |
12 |
MatHub3d-39787-Cu6K2S4 |
Transport
|
|
Ce3In3Ir3
|
0
|
-45.793
|
'P-62m' |
189 |
MatHub3d-28098-Ce3In3Ir3 |
Band
|
|
As2Be2Li2
|
1.005
|
-23.613
|
'P4/nmm' |
129 |
MatHub3d-5285-As2Be2Li2 |
Transport
|
|
Sb8Sr4Zn4
|
0
|
-50.479
|
'Pnma' |
62 |
MatHub3d-73297-Sb8Sr4Zn4 |
Band
|
|
Ba2Mn2Sb4
|
0
|
-33.923
|
'I4/mmm' |
139 |
MatHub3d-12807-Ba2Mn2Sb4 |
Band
|
|
Bi4Mn2Sr2
|
0
|
-35.839
|
'I4/mmm' |
139 |
MatHub3d-16406-Bi4Mn2Sr2 |
Band
|
|
Hg1Ni1
|
0
|
-2.208
|
'Pm-3m' |
221 |
MatHub3d-53981-Hg1Ni1 |
Band
|
|
As2Ca1Mg2
|
1.258
|
-19.027
|
'P-3m1' |
164 |
MatHub3d-5398-As2Ca1Mg2 |
Transport
|
|
Ca1Mg2Sb2
|
0.798
|
-16.808
|
'P-3m1' |
164 |
MatHub3d-24892-Ca1Mg2Sb2 |
Transport
|
|
Mg2Sb2Sr1
|
0.976
|
-16.718
|
'P-3m1' |
164 |
MatHub3d-62773-Mg2Sb2Sr1 |
Transport
|
|
Ba1Mg2Sb2
|
0.846
|
-17.063
|
'P-3m1' |
164 |
MatHub3d-12099-Ba1Mg2Sb2 |
Transport
|
|
Bi2Ca1Mg2
|
0.419
|
-15.493
|
'P-3m1' |
164 |
MatHub3d-15766-Bi2Ca1Mg2 |
Transport
|
|
Ba1Bi2Mg2
|
0.416
|
-15.821
|
'P-3m1' |
164 |
MatHub3d-11909-Ba1Bi2Mg2 |
Transport
|
|
Ga2Li4
|
0
|
-15.027
|
'Cmcm' |
63 |
MatHub3d-48809-Ga2Li4 |
Band
|
|
Ga2Li3
|
0
|
-12.967
|
'R-3m' |
166 |
MatHub3d-48808-Ga2Li3 |
Band
|
|
Cu3S8V4
|
0
|
-78.394
|
'R3m' |
160 |
MatHub3d-39069-Cu3S8V4 |
Band
|
|
Fe6Ge4Li1
|
0
|
-51.898
|
'C2/m' |
12 |
MatHub3d-47698-Fe6Ge4Li1 |
Band
|
|
Ca1P2Zn2
|
0.907
|
-17.356
|
'P-3m1' |
164 |
MatHub3d-24943-Ca1P2Zn2 |
Transport
|
|
Ca1Cd2P2
|
0.886
|
-16.281
|
'P-3m1' |
164 |
MatHub3d-24735-Ca1Cd2P2 |
Transport
|
|
As2Ca1Zn2
|
0.717
|
-15.615
|
'P-3m1' |
164 |
MatHub3d-5404-As2Ca1Zn2 |
Transport
|
|
As2Ca1Cd2
|
0.263
|
-14.941
|
'P-3m1' |
164 |
MatHub3d-5393-As2Ca1Cd2 |
Transport
|
|
N4S8Sb4
|
0.654
|
-79.408
|
'P-1' |
2 |
MatHub3d-65190-N4S8Sb4 |
Transport
|
|
As2Be2Na2
|
1.281
|
-21.865
|
'P6_3/mmc' |
194 |
MatHub3d-5287-As2Be2Na2 |
Band
|
|
Be2Na2Sb2
|
0.904
|
-19.471
|
'P6_3/mmc' |
194 |
MatHub3d-15058-Be2Na2Sb2 |
Band
|