MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Al6Zr2
|
0
|
-43.420
|
'I4/mmm' |
139 |
MatHub3d-4017-Al6Zr2 |
Band
|
|
Am1
|
0
|
-16.061
|
'Fm-3m' |
225 |
MatHub3d-5008-Am1 |
Band
|
|
Am2Ni4
|
0
|
-37.670
|
'Fd-3m' |
227 |
MatHub3d-5042-Am2Ni4 |
Band
|
|
Am2Rh4
|
0
|
-45.251
|
'Fd-3m' |
227 |
MatHub3d-5044-Am2Rh4 |
Band
|
|
As2Au2Ca2
|
0
|
-20.877
|
'P6_3/mmc' |
194 |
MatHub3d-5219-As2Au2Ca2 |
Band
|
|
As2Co2Li2
|
0
|
-21.415
|
'P4/nmm' |
129 |
MatHub3d-5459-As2Co2Li2 |
Band
|
|
As2Cr2
|
0
|
-24.408
|
'P6_3/mmc' |
194 |
MatHub3d-5468-As2Cr2 |
Band
|
|
As2Cu2Eu2
|
0
|
-23.702
|
'P6_3/mmc' |
194 |
MatHub3d-5493-As2Cu2Eu2 |
Band
|
|
As2Cu2Sr2
|
0.213
|
-22.326
|
'P6_3/mmc' |
194 |
MatHub3d-5515-As2Cu2Sr2 |
Transport
|
|
As1Mn1Pd2
|
0
|
-19.928
|
'Fm-3m' |
225 |
MatHub3d-5166-As1Mn1Pd2 |
Band
|
|
As4Nd2Ni4
|
0
|
-46.254
|
'P4/nmm' |
129 |
MatHub3d-6351-As4Nd2Ni4 |
Band
|
|
As4Rh4V4
|
0
|
-67.394
|
'Pnma' |
62 |
MatHub3d-6413-As4Rh4V4 |
Band
|
|
As4Ta2
|
0
|
-41.538
|
'C2' |
5 |
MatHub3d-6424-As4Ta2 |
Band
|
|
Au2Er2Ge2
|
0
|
-23.924
|
'P6_3mc' |
186 |
MatHub3d-7642-Au2Er2Ge2 |
Band
|
|
Au1Li1Sb1
|
0
|
-8.213
|
'F-43m' |
216 |
MatHub3d-7417-Au1Li1Sb1 |
Band
|
|
Au4Mn1
|
0
|
-12.914
|
'I4/m' |
87 |
MatHub3d-8109-Au4Mn1 |
Band
|
|
I4Te4
|
0.904
|
-19.349
|
'C2/m' |
12 |
MatHub3d-55039-I4Te4 |
Transport
|
|
Au1Zn1
|
0
|
-2.138
|
'Pm-3m' |
221 |
MatHub3d-7508-Au1Zn1 |
Band
|
|
Au1Zr2
|
0
|
-19.393
|
'I4/mmm' |
139 |
MatHub3d-7509-Au1Zr2 |
Band
|
|
B2Dy3Ni13
|
0
|
-65.699
|
'P6/mmm' |
191 |
MatHub3d-8802-B2Dy3Ni13 |
Band
|
|
B2Lu1Ru3
|
0
|
-38.002
|
'P6/mmm' |
191 |
MatHub3d-8969-B2Lu1Ru3 |
Band
|
|
B6Nd1
|
0
|
-48.261
|
'Pm-3m' |
221 |
MatHub3d-10099-B6Nd1 |
Band
|
|
B2Nd1Rh3
|
0
|
-34.395
|
'P6/mmm' |
191 |
MatHub3d-9028-B2Nd1Rh3 |
Band
|
|
B16Pr4
|
0
|
-137.118
|
'P4/mbm' |
127 |
MatHub3d-11160-B16Pr4 |
Band
|
|
B6Ru4
|
0
|
-65.611
|
'P6_3/mmc' |
194 |
MatHub3d-10155-B6Ru4 |
Band
|