MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Mg4Th2
|
0
|
-20.908
|
'Fd-3m' |
227 |
MatHub3d-62958-Mg4Th2 |
Band
|
|
Mg1Tl1
|
0
|
-3.813
|
'Pm-3m' |
221 |
MatHub3d-62639-Mg1Tl1 |
Band
|
|
Mg1Tm1
|
0
|
-6.096
|
'Pm-3m' |
221 |
MatHub3d-62643-Mg1Tm1 |
Band
|
|
Mg8Y4
|
0
|
-38.907
|
'P6_3/mmc' |
194 |
MatHub3d-63075-Mg8Y4 |
Band
|
|
As8Hf24
|
0
|
-296.091
|
'C2/c' |
15 |
MatHub3d-6787-As8Hf24 |
Band
|
|
Mn2Nb6S12
|
0
|
-136.744
|
'P6_322' |
182 |
MatHub3d-63377-Mn2Nb6S12 |
Band
|
|
Mn1Ni1
|
0
|
-6.567
|
'P4/mmm' |
123 |
MatHub3d-63193-Mn1Ni1 |
Band
|
|
Mn1Ni1
|
0
|
-9.656
|
'Pm-3m' |
221 |
MatHub3d-63194-Mn1Ni1 |
Band
|
|
Mn1Ni3
|
0
|
-14.568
|
'Pm-3m' |
221 |
MatHub3d-63207-Mn1Ni3 |
Band
|
|
Mn1Ni2Sn1
|
0
|
-16.822
|
'Fm-3m' |
225 |
MatHub3d-63206-Mn1Ni2Sn1 |
Band
|
|
Mn4Np2
|
0
|
-39.601
|
'Fd-3m' |
227 |
MatHub3d-63686-Mn4Np2 |
Band
|
|
Mn1Pb1Rh2
|
0
|
-19.671
|
'Fm-3m' |
225 |
MatHub3d-63259-Mn1Pb1Rh2 |
Band
|
|
Mn1Pd1
|
0
|
-11.182
|
'P4/mmm' |
123 |
MatHub3d-63260-Mn1Pd1 |
Band
|
|
Mn2Pd6
|
0
|
-36.593
|
'I4/mmm' |
139 |
MatHub3d-63502-Mn2Pd6 |
Band
|
|
Mn1Pd2Sn1
|
0
|
-19.845
|
'Fm-3m' |
225 |
MatHub3d-63266-Mn1Pd2Sn1 |
Band
|
|
Mn1Pt1
|
0
|
-12.109
|
'P4/mmm' |
123 |
MatHub3d-63267-Mn1Pt1 |
Band
|
|
Mn3Pt1
|
0
|
-17.571
|
'Pm-3m' |
221 |
MatHub3d-63630-Mn3Pt1 |
Band
|
|
Mn1Pt1Sn1
|
0
|
-16.403
|
'F-43m' |
216 |
MatHub3d-63272-Mn1Pt1Sn1 |
Band
|
|
Mn4Pu2
|
0
|
-39.741
|
'Fd-3m' |
227 |
MatHub3d-63806-Mn4Pu2 |
Band
|
|
Mn1Rh1
|
0
|
-11.641
|
'P4/mmm' |
123 |
MatHub3d-63280-Mn1Rh1 |
Band
|
|
Mn3Rh1
|
0
|
-17.879
|
'Pm-3m' |
221 |
MatHub3d-63631-Mn3Rh1 |
Band
|
|
Mn1Rh2Sn1
|
0
|
-21.504
|
'Fm-3m' |
225 |
MatHub3d-63288-Mn1Rh2Sn1 |
Band
|
|
Mn1Se1
|
0.377
|
-12.068
|
'Fm-3m' |
225 |
MatHub3d-63309-Mn1Se1 |
Transport
|
|
Mn4Si4
|
0
|
-47.519
|
'P2_13' |
198 |
MatHub3d-63818-Mn4Si4 |
Band
|
|
Mn4Sn2
|
0
|
-34.483
|
'P6_3/mmc' |
194 |
MatHub3d-63822-Mn4Sn2 |
Band
|