MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Cu2In1Zr1
|
0
|
-16.563
|
'Fm-3m' |
225 |
MatHub3d-38390-Cu2In1Zr1 |
Band
|
|
Cu2La1
|
0
|
-9.935
|
'P6/mmm' |
191 |
MatHub3d-38437-Cu2La1 |
Band
|
|
C2Hg1N2S2
|
2.279
|
-41.394
|
'C2/m' |
12 |
MatHub3d-19350-C2Hg1N2S2 |
Transport
|
|
Cu4La2Sn4
|
0
|
-38.988
|
'P4/nmm' |
129 |
MatHub3d-39326-Cu4La2Sn4 |
Band
|
|
Cu1Li2Sn1
|
0
|
-11.314
|
'F-43m' |
216 |
MatHub3d-37832-Cu1Li2Sn1 |
Band
|
|
Cu5Lu1
|
0
|
-17.248
|
'F-43m' |
216 |
MatHub3d-39703-Cu5Lu1 |
Band
|
|
Cu1Mg1Sn1
|
0
|
-7.478
|
'F-43m' |
216 |
MatHub3d-37865-Cu1Mg1Sn1 |
Band
|
|
Cu4Mg1Sn1
|
0
|
-15.621
|
'F-43m' |
216 |
MatHub3d-39434-Cu4Mg1Sn1 |
Band
|
|
Cu5Nd1
|
0
|
-17.296
|
'P6/mmm' |
191 |
MatHub3d-39711-Cu5Nd1 |
Band
|
|
Cu1Ni2Sn1
|
0
|
-12.043
|
'Fm-3m' |
225 |
MatHub3d-37920-Cu1Ni2Sn1 |
Band
|
|
Cu2Ni1Sn1
|
0
|
-11.103
|
'Fm-3m' |
225 |
MatHub3d-38645-Cu2Ni1Sn1 |
Band
|
|
Cu2Ni1Zn1
|
0
|
-8.085
|
'P4/mmm' |
123 |
MatHub3d-38646-Cu2Ni1Zn1 |
Band
|
|
Cu3Pd1
|
0
|
-10.912
|
'Pm-3m' |
221 |
MatHub3d-39063-Cu3Pd1 |
Band
|
|
Cu16Pd4
|
0
|
-52.865
|
'P4_2/m' |
84 |
MatHub3d-40257-Cu16Pd4 |
Band
|
|
Cu5Pr1
|
0
|
-17.264
|
'P6/mmm' |
191 |
MatHub3d-39720-Cu5Pr1 |
Band
|
|
Cu1Rh2Sn1
|
0
|
-16.249
|
'Fm-3m' |
225 |
MatHub3d-38004-Cu1Rh2Sn1 |
Band
|
|
Cu1Sc1
|
0
|
-7.867
|
'Pm-3m' |
221 |
MatHub3d-38018-Cu1Sc1 |
Band
|
|
Cu5Sm1
|
0
|
-17.305
|
'P6/mmm' |
191 |
MatHub3d-39722-Cu5Sm1 |
Band
|
|
Cu3Sn1
|
0
|
-10.968
|
'Fm-3m' |
225 |
MatHub3d-39080-Cu3Sn1 |
Band
|
|
Cu2Sn4Sr2
|
0
|
-26.725
|
'Cmcm' |
63 |
MatHub3d-38847-Cu2Sn4Sr2 |
Band
|
|
Cu4Sn4Tm3
|
0
|
-41.921
|
'C2/m' |
12 |
MatHub3d-39658-Cu4Sn4Tm3 |
Band
|
|
Cu1Tb1
|
0.033
|
-7.316
|
'Pm-3m' |
221 |
MatHub3d-38024-Cu1Tb1 |
Band
|
|
Cu5Tb1
|
0
|
-17.310
|
'P6/mmm' |
191 |
MatHub3d-39724-Cu5Tb1 |
Band
|
|
Cu1Th2
|
0
|
-15.648
|
'P6/mmm' |
191 |
MatHub3d-38026-Cu1Th2 |
Band
|
|
Cu2Th1
|
0
|
-12.584
|
'P6/mmm' |
191 |
MatHub3d-38854-Cu2Th1 |
Band
|