| Structure info | |
|---|---|
| Layer group | c222 |
| Layer group number | 22 |
| Structure origin | Lyngby22_LDP |
| Stability | |
|---|---|
| Energy above convex hull [eV/atom] | 0.378 |
| Heat of formation [eV/atom] | 0.339 |
| Dynamically stable | Unknown |
| Basic properties | |
|---|---|
| Symmetries | |
|---|---|
| 2D Bravais type | Centered rectangular (oc) |
| Layer group number | 22 |
| Layer group | c222 |
| Space group number (bulk in AA-stacking) | 21 |
| Space group (bulk in AA-stacking) | C222 |
| Point group | 222 |
| Inversion symmetry | No |
| Structure data | |
|---|---|
| Formula | Ag2SeS4 |
| Stoichiometry | AB2C4 |
| Number of atoms | 7 |
| Unit cell area [Å2] | 38.548 |
| Thickness [Å] | 2.805 |
| SeAg2S4 (1SeAg2S4-1) | |
|---|---|
| Heat of formation [eV/atom] | 0.34 |
| Energy above convex hull [eV/atom] | 0.38 |
| Monolayers from C2DB | |
|---|---|
| Se2Ag4 (2SeAg2-1) | -0.09 eV/atom |
| S2Ag4 (2SAg2-1) | -0.08 eV/atom |
| S4Ag8 (4SAg2-1) | -0.07 eV/atom |
| Se8Ag16 (8SeAg2-1) | -0.07 eV/atom |
| S2Ag4 (2SAg2-2) | -0.04 eV/atom |
| Ag4Se4 (4AgSe-1) | -0.02 eV/atom |
| S4Ag8 (4SAg2-2) | 0.00 eV/atom |
| Ag2Se2 (2AgSe-1) | 0.02 eV/atom |
| Ag8Se12 (4Ag2Se3-1) | 0.03 eV/atom |
| Ag6S6 (6AgS-1) | 0.03 eV/atom |
| Ag2Se4 (2AgSe2-1) | 0.05 eV/atom |
| Ag2Se2 (2AgSe-2) | 0.05 eV/atom |
| Ag2Se2 (2AgSe-3) | 0.06 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 |
| AgSe2 (1AgSe2-1) | 0.11 eV/atom |
| Ag2S2 (2AgS-2) | 0.12 eV/atom |
| SeAg2 (1SeAg2-1) | 0.15 eV/atom |
| Ag2Se2 (2AgSe-4) | 0.15 eV/atom |
| Ag2Se2 (2AgSe-5) | 0.18 eV/atom |
| Ag4Se4S12 (4AgSeS3-1) | 0.19 eV/atom |
| Ag2Se4 (2AgSe2-2) | 0.19 eV/atom |
| Ag4S16 (4AgS4-1) | 0.20 eV/atom |
| Se2 (2Se-1) | 0.21 eV/atom |
| AgSe2 (1AgSe2-2) | 0.22 eV/atom |
| SAg2 (1SAg2-1) | 0.23 eV/atom |
| Ag2S2 (2AgS-3) | 0.23 eV/atom |
| Se2Ag4S12 (2SeAg2S6-1) | 0.24 eV/atom |
| Ag2S2 (2AgS-4) | 0.25 eV/atom |
| Ag2Se2 (2AgSe-6) | 0.27 eV/atom |
| Ag2S2 (2AgS-5) | 0.28 eV/atom |
| Se2 (2Se-2) | 0.29 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 |
| AgSe2 (1AgSe2-3) | 0.32 eV/atom |
| SeAg2S4, (1SeAg2S4-1) | 0.34 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 | 1SeAg2S4-1 |
| Number of atoms | 7 |
| Number of species | 3 |
| Formula | Ag2SeS4 |
| Reduced formula | Ag2SeS4 |
| Stoichiometry | AB2C4 |
| Unit cell area [Å2] | 38.548 |
| Original file-system folder | /home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2C4/SeAg2S4/SeAg2S4-928a93bad8cc |
| Old uid | SeAg2S4-a7cc59b9a176 |
| Space group (bulk in AA-stacking) | C222 |
| Space group number (bulk in AA-stacking) | 21 |
| Miscellaneous details | |
|---|---|
| Point group | 222 |
| Inversion symmetry | No |
| Layer group number | 22 |
| Layer group | c222 |
| 2D Bravais type | Centered rectangular (oc) |
| Thickness [Å] | 2.805 |
| Structure origin | Lyngby22_LDP |
| Dynamically stable | Unknown |
| Energy [eV] | -23.100 |
| Energy above convex hull [eV/atom] | 0.378 |
| Heat of formation [eV/atom] | 0.339 |
