MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Al3Rh3U3
|
0
|
-61.865
|
'P-62m' |
189 |
MatHub3d-3080-Al3Rh3U3 |
Band
|
|
Al4Ti2
|
0
|
-26.572
|
'Cmmm' |
65 |
MatHub3d-3787-Al4Ti2 |
Band
|
|
Al1Zr3
|
0
|
-30.512
|
'Pm-3m' |
221 |
MatHub3d-2372-Al1Zr3 |
Band
|
|
As2Pb4Pd6
|
0
|
-47.632
|
'Cmc2_1' |
36 |
MatHub3d-5776-As2Pb4Pd6 |
Band
|
|
Au2Ba2Bi2
|
0
|
-16.008
|
'P6_3/mmc' |
194 |
MatHub3d-7513-Au2Ba2Bi2 |
Band
|
|
Au2Ba2Sb2
|
0
|
-16.747
|
'P6_3/mmc' |
194 |
MatHub3d-7516-Au2Ba2Sb2 |
Band
|
|
Au2Bi2Sr2
|
0
|
-15.736
|
'P6_3/mmc' |
194 |
MatHub3d-7530-Au2Bi2Sr2 |
Band
|
|
Au4Ca4Ga4
|
0
|
-32.000
|
'Pnma' |
62 |
MatHub3d-8012-Au4Ca4Ga4 |
Band
|
|
Au4Dy4In2
|
0
|
-35.557
|
'P4/mbm' |
127 |
MatHub3d-8050-Au4Dy4In2 |
Band
|
|
Au5K1
|
0
|
-8.703
|
'P6/mmm' |
191 |
MatHub3d-8154-Au5K1 |
Band
|
|
Au3Rb2
|
0
|
-7.181
|
'Immm' |
71 |
MatHub3d-7961-Au3Rb2 |
Band
|
|
Au5Rb1
|
0
|
-8.389
|
'P6/mmm' |
191 |
MatHub3d-8157-Au5Rb1 |
Band
|
|
Au7Rb3
|
0
|
-14.390
|
'Cmmm' |
65 |
MatHub3d-8232-Au7Rb3 |
Band
|
|
Au2Sb2Sr2
|
0
|
-16.586
|
'P6_3/mmc' |
194 |
MatHub3d-7870-Au2Sb2Sr2 |
Band
|
|
Ba2Bi2Cu2
|
0
|
-19.827
|
'P6_3/mmc' |
194 |
MatHub3d-12246-Ba2Bi2Cu2 |
Band
|
|
Ba2Cd2Ge2
|
0
|
-16.283
|
'P6_3/mmc' |
194 |
MatHub3d-12366-Ba2Cd2Ge2 |
Band
|
|
C1In1Mn3
|
0
|
-22.197
|
'Pm-3m' |
221 |
MatHub3d-18736-C1In1Mn3 |
Band
|
|
Ba4Ge4Pt4
|
0
|
-52.443
|
'P2_13' |
198 |
MatHub3d-13533-Ba4Ge4Pt4 |
Band
|
|
Ba2Ge2Zn2
|
0
|
-16.438
|
'P6_3/mmc' |
194 |
MatHub3d-12636-Ba2Ge2Zn2 |
Band
|
|
Ba2Hg2Sn2
|
0
|
-15.246
|
'P6_3/mmc' |
194 |
MatHub3d-12703-Ba2Hg2Sn2 |
Band
|
|
Ba4Na8
|
0
|
-18.398
|
'P6_3/mmc' |
194 |
MatHub3d-13702-Ba4Na8 |
Band
|
|
Ba2Pb2Zn2
|
0
|
-14.070
|
'P6_3/mmc' |
194 |
MatHub3d-13029-Ba2Pb2Zn2 |
Band
|
|
Ba2Si2Zn2
|
0
|
-17.508
|
'P6_3/mmc' |
194 |
MatHub3d-13056-Ba2Si2Zn2 |
Band
|
|
Ba2Sn2Zn2
|
0
|
-15.144
|
'P6_3/mmc' |
194 |
MatHub3d-13060-Ba2Sn2Zn2 |
Band
|
|
Be8Fe4
|
0
|
-51.336
|
'P6_3/mmc' |
194 |
MatHub3d-15314-Be8Fe4 |
Band
|