MatHub-2d
| Formula |
Gap (eV) |
Free Energy (eV) |
Crystal system |
Space group |
Comment |
|
Au1Se2
|
0.00
|
-7.041
|
hexagonal |
187 |
MatHub2d-76-Au1Se2 |
|
Au1Te2
|
0.01
|
-6.965
|
hexagonal |
164 |
MatHub2d-77-Au1Te2 |
|
Au1Te2
|
0.01
|
-6.802
|
hexagonal |
187 |
MatHub2d-78-Au1Te2 |
|
Au2Br6
|
0.00
|
-12.342
|
hexagonal |
162 |
MatHub2d-79-Au2Br6 |
|
Au2Br6
|
0.00
|
-11.346
|
hexagonal |
191 |
MatHub2d-80-Au2Br6 |
|
Au2Cl6
|
0.00
|
-14.263
|
hexagonal |
162 |
MatHub2d-81-Au2Cl6 |
|
Au2Cl6
|
0.00
|
-12.779
|
hexagonal |
191 |
MatHub2d-82-Au2Cl6 |
|
Au2I6
|
0.00
|
-10.791
|
hexagonal |
162 |
MatHub2d-83-Au2I6 |
|
Au2I6
|
0.00
|
-10.250
|
hexagonal |
191 |
MatHub2d-84-Au2I6 |
|
Au2O2
|
0.00
|
-10.383
|
hexagonal |
187 |
MatHub2d-85-Au2O2 |
|
Au2S2
|
0.00
|
-9.467
|
hexagonal |
187 |
MatHub2d-86-Au2S2 |
|
Au2Se2
|
0.00
|
-8.474
|
hexagonal |
187 |
MatHub2d-87-Au2Se2 |
|
Au2Te2
|
0.00
|
-8.669
|
hexagonal |
187 |
MatHub2d-88-Au2Te2 |
|
B1Br3
|
3.78
|
-13.700
|
hexagonal |
189 |
MatHub2d-89-B1Br3 |
|
B1Cl3
|
4.75
|
-16.107
|
hexagonal |
189 |
MatHub2d-90-B1Cl3 |
|
B1I3
|
2.71
|
-11.486
|
hexagonal |
189 |
MatHub2d-91-B1I3 |
|
B1N1
|
4.65
|
-17.598
|
hexagonal |
187 |
MatHub2d-92-B1N1 |
|
B1P1
|
0.92
|
-12.171
|
hexagonal |
187 |
MatHub2d-93-B1P1 |
|
B1Sb1
|
0.32
|
-9.167
|
hexagonal |
187 |
MatHub2d-94-B1Sb1 |
|
Ba1Br2
|
4.96
|
-11.671
|
hexagonal |
164 |
MatHub2d-95-Ba1Br2 |
|
Ba1Br2
|
4.20
|
-11.340
|
hexagonal |
187 |
MatHub2d-96-Ba1Br2 |
|
Ba1Cl2
|
5.61
|
-12.939
|
hexagonal |
164 |
MatHub2d-97-Ba1Cl2 |
|
Ba1Cl2
|
4.74
|
-12.541
|
hexagonal |
187 |
MatHub2d-98-Ba1Cl2 |
|
Ba1I2
|
4.14
|
-10.270
|
hexagonal |
164 |
MatHub2d-99-Ba1I2 |
|
Ba1I2
|
3.53
|
-10.019
|
hexagonal |
187 |
MatHub2d-100-Ba1I2 |