| Structure info | |
|---|---|
| Layer group | p6/mmm |
| Layer group number | 80 |
| Structure origin | Lyngby22_LDP |
| Stability | |
|---|---|
| Energy above convex hull [eV/atom] | 0.306 |
| Heat of formation [eV/atom] | 0.231 |
| Dynamically stable | Unknown |
| Basic properties | |
|---|---|
| Symmetries | |
|---|---|
| 2D Bravais type | Hexagonal (hp) |
| Layer group number | 80 |
| Layer group | p6/mmm |
| Space group number (bulk in AA-stacking) | 191 |
| Space group (bulk in AA-stacking) | P6/mmm |
| Point group | 6/mmm |
| Inversion symmetry | Yes |
| Structure data | |
|---|---|
| Formula | Ag2S |
| Stoichiometry | AB2 |
| Number of atoms | 3 |
| Unit cell area [Å2] | 18.330 |
| Thickness [Å] | 0.000 |
| SAg2 (1SAg2-1) | |
|---|---|
| Heat of formation [eV/atom] | 0.23 |
| Energy above convex hull [eV/atom] | 0.31 |
| Monolayers from C2DB | |
|---|---|
| S2Ag4 (2SAg2-1) | -0.08 eV/atom |
| S4Ag8 (4SAg2-1) | -0.07 eV/atom |
| S2Ag4 (2SAg2-2) | -0.04 eV/atom |
| S4Ag8 (4SAg2-2) | 0.00 eV/atom |
| Ag6S6 (6AgS-1) | 0.03 eV/atom |
| Ag2S2 (2AgS-1) | 0.06 eV/atom |
| Ag2S4 (2AgS2-1) | 0.07 eV/atom |
| Ag4S6 (2Ag2S3-1) | 0.07 eV/atom |
| Ag4S6 (2Ag2S3-2) | 0.08 eV/atom |
| Ag4S6 (2Ag2S3-3) | 0.08 eV/atom |
| Ag4S6 (2Ag2S3-4) | 0.09 eV/atom |
| Ag2S2 (2AgS-2) | 0.12 eV/atom |
| Ag4S16 (4AgS4-1) | 0.20 eV/atom |
| SAg2, (1SAg2-1) | 0.23 eV/atom |
| Ag2S2 (2AgS-3) | 0.23 eV/atom |
| Ag2S2 (2AgS-4) | 0.25 eV/atom |
| Ag2S2 (2AgS-5) | 0.28 eV/atom |
| AgS2 (1AgS2-1) | 0.30 eV/atom |
| Ag2S5 (1Ag2S5-1) | 0.30 eV/atom |
| Ag2S2 (2AgS-6) | 0.30 eV/atom |
| Ag2 (2Ag-1) | 0.31 eV/atom |
| Ag2S4 (2AgS2-2) | 0.37 eV/atom |
| AgS2 (1AgS2-2) | 0.43 eV/atom |
| S2 (2S-1) | 0.45 eV/atom |
| AgS2 (1AgS2-3) | 0.49 eV/atom |
| S2 (2S-2) | 0.62 eV/atom |
| Miscellaneous details | |
|---|---|
| Unique ID | 1SAg2-1 |
| Number of atoms | 3 |
| Number of species | 2 |
| Formula | Ag2S |
| Reduced formula | Ag2S |
| Stoichiometry | AB2 |
| Unit cell area [Å2] | 18.330 |
| Original file-system folder | /home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/SAg2/SAg2-acc104d1f58b |
| Old uid | SAg2-09f8518ee669 |
| Space group (bulk in AA-stacking) | P6/mmm |
| Space group number (bulk in AA-stacking) | 191 |
| Miscellaneous details | |
|---|---|
| Point group | 6/mmm |
| Inversion symmetry | Yes |
| Layer group number | 80 |
| Layer group | p6/mmm |
| 2D Bravais type | Hexagonal (hp) |
| Thickness [Å] | 0.000 |
| Structure origin | Lyngby22_LDP |
| Dynamically stable | Unknown |
| Energy [eV] | -9.065 |
| Energy above convex hull [eV/atom] | 0.306 |
| Heat of formation [eV/atom] | 0.231 |
