MatHub-3d
| Formula |
Gap (eV) |
Free Energy (eV) |
Space group type |
Space group |
Comment |
Calculation progress |
|
Ag1Au2Eu1
|
0
|
-7.781
|
'Fm-3m' |
225 |
MatHub3d-156-Ag1Au2Eu1 |
Band
|
|
Ag1Au2La1
|
0
|
-10.260
|
'Fm-3m' |
225 |
MatHub3d-157-Ag1Au2La1 |
Band
|
|
Ag1Au2Nd1
|
0
|
-10.295
|
'Fm-3m' |
225 |
MatHub3d-158-Ag1Au2Nd1 |
Band
|
|
Ag1Au2Pa1
|
0
|
-13.572
|
'Fm-3m' |
225 |
MatHub3d-159-Ag1Au2Pa1 |
Band
|
|
Ag1Au2Pm1
|
0
|
-10.297
|
'Fm-3m' |
225 |
MatHub3d-160-Ag1Au2Pm1 |
Band
|
|
Ag1Au2Sm1
|
0
|
-10.263
|
'Fm-3m' |
225 |
MatHub3d-161-Ag1Au2Sm1 |
Band
|
|
Ag1Au3
|
0
|
-4.964
|
'Pm-3m' |
221 |
MatHub3d-162-Ag1Au3 |
Band
|
|
Ag1B1C4N4
|
5.424
|
-75.305
|
'P-43m' |
215 |
MatHub3d-163-Ag1B1C4N4 |
Transport
|
|
Ag1B1O3
|
0
|
-23.275
|
'Pm-3m' |
221 |
MatHub3d-164-Ag1B1O3 |
Band
|
|
Ag1B1Zr1
|
0
|
-13.449
|
'F-43m' |
216 |
MatHub3d-165-Ag1B1Zr1 |
Band
|
|
Ag1B2
|
0
|
-12.826
|
'P6/mmm' |
191 |
MatHub3d-166-Ag1B2 |
Band
|
|
Ag1Ba2Sb1
|
0.176
|
-11.752
|
'Fm-3m' |
225 |
MatHub3d-167-Ag1Ba2Sb1 |
Transport
|
|
Ag1Be12
|
0
|
-44.418
|
'I4/mmm' |
139 |
MatHub3d-168-Ag1Be12 |
Band
|
|
Ag1Bi1Ca2
|
0
|
-11.067
|
'Fm-3m' |
225 |
MatHub3d-169-Ag1Bi1Ca2 |
Band
|
|
Ag1Bi1Cr2O8
|
1.961
|
-72.883
|
'I-4' |
82 |
MatHub3d-170-Ag1Bi1Cr2O8 |
Transport
|
|
Ag1Bi1Li2
|
0
|
-10.075
|
'F-43m' |
216 |
MatHub3d-172-Ag1Bi1Li2 |
Band
|
|
Ag1Bi1S2
|
0.796
|
-14.265
|
'R-3m' |
166 |
MatHub3d-173-Ag1Bi1S2 |
Transport
|
|
Ag1Bi1S2
|
0
|
-13.896
|
'P4/mmm' |
123 |
MatHub3d-174-Ag1Bi1S2 |
Band
|
|
Ag1Bi1Se2
|
0.427
|
-13.137
|
'R-3m' |
166 |
MatHub3d-175-Ag1Bi1Se2 |
Transport
|
|
Ag1Bi1Te2
|
0.230
|
-11.892
|
'R-3m' |
166 |
MatHub3d-176-Ag1Bi1Te2 |
Transport
|
|
Ag1Bi1Yb2
|
0.061
|
-10.375
|
'Fm-3m' |
225 |
MatHub3d-177-Ag1Bi1Yb2 |
Band
|
|
Ag1Bi6S9
|
0
|
-66.377
|
'C2/m' |
12 |
MatHub3d-179-Ag1Bi6S9 |
Band
|
|
Ag1Br1
|
0.656
|
-3.238
|
'P4/mmm' |
123 |
MatHub3d-180-Ag1Br1 |
Transport
|
|
Ag1Br1
|
1.995
|
-3.688
|
'F-43m' |
216 |
MatHub3d-181-Ag1Br1 |
Transport
|
|
Ag1C1
|
0
|
-5.461
|
'Fm-3m' |
225 |
MatHub3d-182-Ag1C1 |
Band
|