MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Bi6S2Te4
|
0
|
-46.475
|
'P-3m1' |
164 |
MatHub3d-16628-Bi6S2Te4 |
Band
|
|
Hf6Sb6
|
0
|
-90.838
|
'Cmcm' |
63 |
MatHub3d-53867-Hf6Sb6 |
Band
|
|
Ga10Yb2
|
0
|
-35.433
|
'I4/mmm' |
139 |
MatHub3d-49325-Ga10Yb2 |
Band
|
|
Be1Pd2
|
0
|
-11.890
|
'I4/mmm' |
139 |
MatHub3d-14958-Be1Pd2 |
Band
|
|
Be2Pd6
|
0
|
-30.516
|
'Cmcm' |
63 |
MatHub3d-15072-Be2Pd6 |
Band
|
|
Bi4K8Sn4
|
0
|
-44.857
|
'Pbcm' |
57 |
MatHub3d-16335-Bi4K8Sn4 |
Band
|
|
Ge2La2Ti2
|
0
|
-31.831
|
'P4/nmm' |
129 |
MatHub3d-50159-Ge2La2Ti2 |
Band
|
|
Ce2Ge2Ti2
|
0
|
-32.113
|
'P4/nmm' |
129 |
MatHub3d-27910-Ce2Ge2Ti2 |
Band
|
|
Sb2Zr4
|
0
|
-46.233
|
'I4/mmm' |
139 |
MatHub3d-73246-Sb2Zr4 |
Band
|
|
Sb4Zr4
|
0
|
-56.414
|
'P2_13' |
198 |
MatHub3d-73275-Sb4Zr4 |
Band
|
|
Cu6Ti2
|
0
|
-23.507
|
'Pmmn' |
59 |
MatHub3d-39882-Cu6Ti2 |
Band
|
|
Al2O11Si2
|
0
|
-93.350
|
'Cm' |
8 |
MatHub3d-2886-Al2O11Si2 |
Band
|
|
Ag1Gd1Mg2
|
0
|
-8.636
|
'Fm-3m' |
225 |
MatHub3d-269-Ag1Gd1Mg2 |
Band
|
|
Al9Ba1Ni2
|
0
|
-44.825
|
'P6/mmm' |
191 |
MatHub3d-4412-Al9Ba1Ni2 |
Band
|
|
Al1Cu1Pt2
|
0
|
-17.005
|
'P4/mmm' |
123 |
MatHub3d-2087-Al1Cu1Pt2 |
Band
|
|
Al1Fe2V1
|
0.793
|
-18.956
|
'Fm-3m' |
225 |
MatHub3d-2143-Al1Fe2V1 |
Band
|
|
Al2Hf2
|
0
|
-28.934
|
'Cmcm' |
63 |
MatHub3d-2740-Al2Hf2 |
Band
|
|
Al3Nb1
|
0
|
-21.190
|
'I4/mmm' |
139 |
MatHub3d-3050-Al3Nb1 |
Band
|
|
Al2Ni3Pr1
|
0
|
-22.311
|
'P6/mmm' |
191 |
MatHub3d-2856-Al2Ni3Pr1 |
Band
|
|
Al6Pr2
|
0
|
-35.504
|
'P6_3/mmc' |
194 |
MatHub3d-4005-Al6Pr2 |
Band
|
|
Al1Pu3
|
0
|
-45.712
|
'Pm-3m' |
221 |
MatHub3d-2328-Al1Pu3 |
Band
|
|
Al1Sn1
|
0
|
-7.235
|
'P-6m2' |
187 |
MatHub3d-2356-Al1Sn1 |
Band
|
|
Al4Sr1
|
0
|
-17.748
|
'I4/mmm' |
139 |
MatHub3d-3779-Al4Sr1 |
Band
|
|
Al1Ti1
|
0
|
-9.170
|
'P4/mmm' |
123 |
MatHub3d-2361-Al1Ti1 |
Band
|
|
As16Mg4
|
0.803
|
-85.346
|
'P4_12_12' |
92 |
MatHub3d-7163-As16Mg4 |
Transport
|