MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Bi1Ca3N1
|
0.385
|
-23.147
|
'Pm-3m' |
221 |
MatHub3d-15498-Bi1Ca3N1 |
Transport
|
|
Bi6Ce8
|
0
|
-65.524
|
'I-43d' |
220 |
MatHub3d-16565-Bi6Ce8 |
Band
|
|
Bi1Cm1
|
0
|
-23.036
|
'Fm-3m' |
225 |
MatHub3d-15506-Bi1Cm1 |
Band
|
|
Ca2Cu2In4
|
0
|
-20.868
|
'Cmcm' |
63 |
MatHub3d-25057-Ca2Cu2In4 |
Band
|
|
Ca4Ga4Pt4
|
0
|
-46.336
|
'Pnma' |
62 |
MatHub3d-25606-Ca4Ga4Pt4 |
Band
|
|
Ca3Ge1N1
|
0
|
-22.311
|
'Pm-3m' |
221 |
MatHub3d-25468-Ca3Ge1N1 |
Band
|
|
Ca4Ge4Pt4
|
0
|
-52.571
|
'Pnma' |
62 |
MatHub3d-25620-Ca4Ge4Pt4 |
Band
|
|
Ca10Hg6
|
0
|
-27.471
|
'I4/mcm' |
140 |
MatHub3d-26247-Ca10Hg6 |
Band
|
|
Ca2Hg2Pb2
|
0
|
-13.414
|
'P6_3/mmc' |
194 |
MatHub3d-25203-Ca2Hg2Pb2 |
Band
|
|
Ca2In8Ni2
|
0
|
-31.859
|
'Cmcm' |
63 |
MatHub3d-25230-Ca2In8Ni2 |
Band
|
|
Ca4In4Pt4
|
0
|
-43.679
|
'Pnma' |
62 |
MatHub3d-25689-Ca4In4Pt4 |
Band
|
|
Ca4Li8
|
0
|
-23.190
|
'P6_3/mmc' |
194 |
MatHub3d-25713-Ca4Li8 |
Band
|
|
Ca3N1P1
|
0.804
|
-24.635
|
'Pm-3m' |
221 |
MatHub3d-25485-Ca3N1P1 |
Transport
|
|
Ca3N1Pb1
|
0
|
-13.244
|
'Pm-3m' |
221 |
MatHub3d-25486-Ca3N1Pb1 |
Band
|
|
Ca3N1Sb1
|
0
|
-15.322
|
'Pm-3m' |
221 |
MatHub3d-25487-Ca3N1Sb1 |
Band
|
|
Ca3N1Sn1
|
0
|
-13.797
|
'Pm-3m' |
221 |
MatHub3d-25488-Ca3N1Sn1 |
Band
|
|
Ca3Pb3Pd3
|
0
|
-32.094
|
'P-62m' |
189 |
MatHub3d-25507-Ca3Pb3Pd3 |
Band
|
|
Ca1Pd5
|
0
|
-20.413
|
'P6/mmm' |
191 |
MatHub3d-24951-Ca1Pd5 |
Band
|
|
Ca2Sn2Zn2
|
0
|
-15.153
|
'P6_3mc' |
186 |
MatHub3d-25442-Ca2Sn2Zn2 |
Band
|
|
Cd3Pd3Pr3
|
0
|
-30.890
|
'P-62m' |
189 |
MatHub3d-27143-Cd3Pd3Pr3 |
Band
|
|
Ce2Co2Ge2
|
0
|
-24.563
|
'P4/nmm' |
129 |
MatHub3d-27846-Ce2Co2Ge2 |
Band
|
|
Ce1Co1Ge3
|
0
|
-23.730
|
'I4mm' |
107 |
MatHub3d-27679-Ce1Co1Ge3 |
Band
|
|
Ce2Cu2Ge2
|
0
|
-26.735
|
'P6_3/mmc' |
194 |
MatHub3d-27870-Ce2Cu2Ge2 |
Band
|
|
Ce1Cu2In1
|
0
|
-13.331
|
'Fm-3m' |
225 |
MatHub3d-27691-Ce1Cu2In1 |
Band
|
|
Ce2Cu2Sb4
|
0
|
-25.925
|
'P4/nmm' |
129 |
MatHub3d-27874-Ce2Cu2Sb4 |
Band
|