MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
B12Th1
|
0
|
-91.198
|
'Fm-3m' |
225 |
MatHub3d-10925-B12Th1 |
Band
|
|
Ba1Te1
|
0.785
|
-8.293
|
'Pm-3m' |
221 |
MatHub3d-12225-Ba1Te1 |
Transport
|
|
Be2Hf2Si2
|
0
|
-42.136
|
'P6_3/mmc' |
194 |
MatHub3d-15034-Be2Hf2Si2 |
Band
|
|
Bi1Ce1
|
0
|
-8.718
|
'Pm-3m' |
221 |
MatHub3d-15500-Bi1Ce1 |
Band
|
|
Bi1In2
|
0
|
-8.589
|
'P6/mmm' |
191 |
MatHub3d-15578-Bi1In2 |
Band
|
|
Bi1Sm1
|
0
|
-10.420
|
'Fm-3m' |
225 |
MatHub3d-15692-Bi1Sm1 |
Band
|
|
C1Ca1Pd3
|
0
|
-22.068
|
'Pm-3m' |
221 |
MatHub3d-18598-C1Ca1Pd3 |
Band
|
|
C1Co3Sn1
|
0
|
-22.440
|
'Pm-3m' |
221 |
MatHub3d-18633-C1Co3Sn1 |
Band
|
|
C1Dy2
|
0
|
-19.164
|
'R-3m' |
166 |
MatHub3d-18653-C1Dy2 |
Band
|
|
C1Er1Rh3
|
0
|
-28.843
|
'Pm-3m' |
221 |
MatHub3d-18661-C1Er1Rh3 |
Band
|
|
Cu4Mg2
|
0
|
-13.202
|
'Fd-3m' |
227 |
MatHub3d-39436-Cu4Mg2 |
Band
|
|
Ca2Rh4
|
0
|
-22.599
|
'Fd-3m' |
227 |
MatHub3d-25421-Ca2Rh4 |
Band
|
|
Ca2Ir4
|
0
|
-30.952
|
'Fd-3m' |
227 |
MatHub3d-25239-Ca2Ir4 |
Band
|
|
Ca2Pt4
|
0
|
-25.284
|
'Fd-3m' |
227 |
MatHub3d-25415-Ca2Pt4 |
Band
|
|
Pt4Sr2
|
0
|
-24.231
|
'Fd-3m' |
227 |
MatHub3d-72217-Pt4Sr2 |
Band
|
|
Ba2Rh4
|
0
|
-20.707
|
'Fd-3m' |
227 |
MatHub3d-13042-Ba2Rh4 |
Band
|
|
K4Na8
|
0
|
-14.763
|
'P6_3/mmc' |
194 |
MatHub3d-57147-K4Na8 |
Band
|
|
Bi2Pd2
|
0
|
-15.789
|
'P6_3/mmc' |
194 |
MatHub3d-16061-Bi2Pd2 |
Band
|
|
Ce4P8
|
0
|
-75.485
|
'P2_1/c' |
14 |
MatHub3d-28303-Ce4P8 |
Band
|
|
C1Pa1
|
0
|
-19.593
|
'Fm-3m' |
225 |
MatHub3d-18854-C1Pa1 |
Band
|
|
C1Pb1Pd3
|
0
|
-21.910
|
'Pm-3m' |
221 |
MatHub3d-18855-C1Pb1Pd3 |
Band
|
|
C1Pt3Sn1
|
0
|
-23.799
|
'Pm-3m' |
221 |
MatHub3d-18875-C1Pt3Sn1 |
Band
|
|
C1Pu1Rh3
|
0
|
-34.488
|
'Pm-3m' |
221 |
MatHub3d-18878-C1Pu1Rh3 |
Band
|
|
Sb1
|
0.036
|
-3.910
|
'Im-3m' |
229 |
MatHub3d-73191-Sb1 |
Band
|
|
C1Pu1Ru3
|
0
|
-40.856
|
'Pm-3m' |
221 |
MatHub3d-18879-C1Pu1Ru3 |
Band
|