MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Lu1Zn1
|
0
|
-5.388
|
'Pm-3m' |
221 |
MatHub3d-62289-Lu1Zn1 |
Band
|
|
Mg4Nd2
|
0
|
-16.086
|
'Fd-3m' |
227 |
MatHub3d-62877-Mg4Nd2 |
Band
|
|
Mg12Nd1
|
0
|
-23.334
|
'I4/mmm' |
139 |
MatHub3d-63092-Mg12Nd1 |
Band
|
|
Mg8Ni16
|
0
|
-55.535
|
'P6_3/mmc' |
194 |
MatHub3d-63029-Mg8Ni16 |
Band
|
|
Mg1Ni2Sb1
|
0
|
-11.784
|
'Fm-3m' |
225 |
MatHub3d-62515-Mg1Ni2Sb1 |
Band
|
|
Mg1Ni2Sn1
|
0
|
-11.680
|
'Fm-3m' |
225 |
MatHub3d-62516-Mg1Ni2Sn1 |
Band
|
|
Mg1Pr1
|
0
|
-6.475
|
'Pm-3m' |
221 |
MatHub3d-62578-Mg1Pr1 |
Band
|
|
Mg3Pr1
|
0
|
-9.764
|
'Fm-3m' |
225 |
MatHub3d-62836-Mg3Pr1 |
Band
|
|
Mg12Pr1
|
0
|
-23.424
|
'I4/mmm' |
139 |
MatHub3d-63109-Mg12Pr1 |
Band
|
|
Mg1Pt3
|
0
|
-15.777
|
'Pm-3m' |
221 |
MatHub3d-62584-Mg1Pt3 |
Band
|
|
Mg6Pt2
|
0
|
-21.603
|
'P6_3/mmc' |
194 |
MatHub3d-62994-Mg6Pt2 |
Band
|
|
Mg1Rh1
|
0
|
-6.640
|
'Pm-3m' |
221 |
MatHub3d-62590-Mg1Rh1 |
Band
|
|
Ba2Se6V2
|
0
|
-50.225
|
'P6_3/mmc' |
194 |
MatHub3d-13054-Ba2Se6V2 |
Band
|
|
Mg20Rh8
|
0
|
-73.763
|
'P6_3/mmc' |
194 |
MatHub3d-63145-Mg20Rh8 |
Band
|
|
Mg12Ru8
|
0
|
-66.224
|
'P4_132' |
213 |
MatHub3d-63110-Mg12Ru8 |
Band
|
|
Mg1Sm1
|
0
|
-6.359
|
'Pm-3m' |
221 |
MatHub3d-62621-Mg1Sm1 |
Band
|
|
Mg4Sm2
|
0
|
-15.880
|
'Fd-3m' |
227 |
MatHub3d-62953-Mg4Sm2 |
Band
|
|
Mg3Sm1
|
0
|
-9.594
|
'Fm-3m' |
225 |
MatHub3d-62842-Mg3Sm1 |
Band
|
|
B2Pd4
|
0
|
-28.365
|
'Pnnm' |
58 |
MatHub3d-9066-B2Pd4 |
Band
|
|
Mg2Sn1
|
0
|
-7.341
|
'Fm-3m' |
225 |
MatHub3d-62789-Mg2Sn1 |
Band
|
|
Mg4Sn4Sr4
|
0
|
-34.397
|
'Pnma' |
62 |
MatHub3d-62956-Mg4Sn4Sr4 |
Band
|
|
Mg1Sr1
|
0
|
-3.254
|
'Pm-3m' |
221 |
MatHub3d-62629-Mg1Sr1 |
Band
|
|
Mg34Sr4
|
0
|
-59.626
|
'P6_3/mmc' |
194 |
MatHub3d-63161-Mg34Sr4 |
Band
|
|
Mg23Sr6
|
0
|
-46.772
|
'Fm-3m' |
225 |
MatHub3d-63147-Mg23Sr6 |
Band
|
|
Mg8Tb4
|
0
|
-31.226
|
'P6_3/mmc' |
194 |
MatHub3d-63073-Mg8Tb4 |
Band
|