MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ir3U1
|
0
|
-32.022
|
'Pm-3m' |
221 |
MatHub3d-56519-Ir3U1 |
Band
|
|
Ir1V1
|
0
|
-13.303
|
'P4/mmm' |
123 |
MatHub3d-56394-Ir1V1 |
Band
|
|
Ir2V2
|
0
|
-26.762
|
'Cmmm' |
65 |
MatHub3d-56498-Ir2V2 |
Band
|
|
Ir2V6
|
0
|
-53.252
|
'Pm-3n' |
223 |
MatHub3d-56499-Ir2V6 |
Band
|
|
Ir3V1
|
0
|
-26.356
|
'Pm-3m' |
221 |
MatHub3d-56520-Ir3V1 |
Band
|
|
Ir2W2
|
0
|
-34.084
|
'Pmma' |
51 |
MatHub3d-56500-Ir2W2 |
Band
|
|
Ir6W2
|
0
|
-59.826
|
'P6_3/mmc' |
194 |
MatHub3d-56628-Ir6W2 |
Band
|
|
Ir1Y1
|
0
|
-14.248
|
'Pm-3m' |
221 |
MatHub3d-56395-Ir1Y1 |
Band
|
|
Ir4Y2
|
0
|
-41.992
|
'Fd-3m' |
227 |
MatHub3d-56595-Ir4Y2 |
Band
|
|
Ir1Yb1
|
0
|
-8.485
|
'Pm-3m' |
221 |
MatHub3d-56397-Ir1Yb1 |
Band
|
|
Ir4Yb2
|
0
|
-31.070
|
'Fd-3m' |
227 |
MatHub3d-56596-Ir4Yb2 |
Band
|
|
Ir4Zn22
|
0
|
-39.806
|
'I-43m' |
217 |
MatHub3d-56597-Ir4Zn22 |
Band
|
|
Ir1Zr1
|
0
|
-16.234
|
'Pm-3m' |
221 |
MatHub3d-56399-Ir1Zr1 |
Band
|
|
Ir4Zr12
|
0
|
-135.238
|
'I-42m' |
121 |
MatHub3d-56600-Ir4Zr12 |
Band
|
|
Ir4Zr2
|
0
|
-45.384
|
'Fd-3m' |
227 |
MatHub3d-56598-Ir4Zr2 |
Band
|
|
Al8Cr4U1
|
0
|
-66.128
|
'I4/mmm' |
139 |
MatHub3d-4174-Al8Cr4U1 |
Band
|
|
K4Pb8
|
0
|
-34.863
|
'P6_3/mmc' |
194 |
MatHub3d-57306-K4Pb8 |
Band
|
|
Al4Au16
|
0
|
-39.077
|
'P2_13' |
198 |
MatHub3d-3124-Al4Au16 |
Band
|
|
Al4Ce12
|
0
|
-58.898
|
'P2_1/m' |
11 |
MatHub3d-3344-Al4Ce12 |
Band
|
|
Al8Ce2Ni2
|
0
|
-50.815
|
'Cmcm' |
63 |
MatHub3d-4143-Al8Ce2Ni2 |
Band
|
|
Al5Ce1Ni2
|
0
|
-32.971
|
'Immm' |
71 |
MatHub3d-3799-Al5Ce1Ni2 |
Band
|
|
Ca1Fe2P2
|
0
|
-23.736
|
'I4/mmm' |
139 |
MatHub3d-24807-Ca1Fe2P2 |
Band
|
|
Al3Ce1Pd2
|
0
|
-38.211
|
'P6/mmm' |
191 |
MatHub3d-2975-Al3Ce1Pd2 |
Band
|
|
Al4Au4
|
0
|
-22.556
|
'P2_1/m' |
11 |
MatHub3d-3118-Al4Au4 |
Band
|
|
Al18Co6Y4
|
0
|
-123.595
|
'Cmcm' |
63 |
MatHub3d-4753-Al18Co6Y4 |
Band
|