| Structure info | |
|---|---|
| Layer group | cm11 |
| Layer group number | 13 |
| Structure origin | Lyngby22_CDVAE |
| Stability | |
|---|---|
| Energy above convex hull [eV/atom] | 0.122 |
| Heat of formation [eV/atom] | -0.012 |
| Dynamically stable | Unknown |
| Basic properties | |
|---|---|
| Symmetries | |
|---|---|
| 2D Bravais type | Centered rectangular (oc) |
| Layer group number | 13 |
| Layer group | cm11 |
| Space group number (bulk in AA-stacking) | 8 |
| Space group (bulk in AA-stacking) | Cm |
| Point group | m |
| Inversion symmetry | No |
| Structure data | |
|---|---|
| Formula | AgI2Se |
| Stoichiometry | ABC2 |
| Number of atoms | 4 |
| Unit cell area [Å2] | 17.540 |
| Thickness [Å] | 5.159 |
| AgSeI2 (1AgSeI2-1) | |
|---|---|
| Heat of formation [eV/atom] | -0.01 |
| Energy above convex hull [eV/atom] | 0.12 |
| Monolayers from C2DB | |
|---|---|
| Ag2I2 (2AgI-1) | -0.26 eV/atom |
| Ag2I2 (2AgI-2) | -0.25 eV/atom |
| Ag6I6 (6AgI-1) | -0.24 eV/atom |
| Ag5I5 (5AgI-1) | -0.24 eV/atom |
| Ag6I6 (6AgI-2) | -0.23 eV/atom |
| Ag2I2 (2AgI-3) | -0.22 eV/atom |
| Ag6I6 (6AgI-3) | -0.22 eV/atom |
| Ag6I6 (6AgI-4) | -0.21 eV/atom |
| Ag3I3 (3AgI-1) | -0.21 eV/atom |
| Ag3I3 (3AgI-2) | -0.21 eV/atom |
| AgI (1AgI-1) | -0.20 eV/atom |
| Ag2I2 (2AgI-4) | -0.19 eV/atom |
| Ag6I8 (2Ag3I4-1) | -0.19 eV/atom |
| I12Ag15 (3I4Ag5-1) | -0.17 eV/atom |
| Ag6I12 (6AgI2-1) | -0.16 eV/atom |
| Ag3I5 (1Ag3I5-1) | -0.14 eV/atom |
| Ag2I6 (2AgI3-1) | -0.13 eV/atom |
| Ag2I2Se4 (2AgISe2-1) | -0.12 eV/atom |
| Ag4I8 (4AgI2-1) | -0.12 eV/atom |
| Ag2I4 (2AgI2-1) | -0.12 eV/atom |
| Ag2I6 (2AgI3-2) | -0.11 eV/atom |
| Ag4I8 (4AgI2-2) | -0.10 eV/atom |
| Ag4I12 (4AgI3-1) | -0.09 eV/atom |
| Se2Ag4 (2SeAg2-1) | -0.09 eV/atom |
| Ag4I4Se4 (4AgISe-1) | -0.08 eV/atom |
| Ag2I4 (2AgI2-2) | -0.08 eV/atom |
| AgI3 (1AgI3-1) | -0.07 eV/atom |
| Se8Ag16 (8SeAg2-1) | -0.07 eV/atom |
| AgI2 (1AgI2-1) | -0.06 eV/atom |
| AgI2 (1AgI2-2) | -0.06 eV/atom |
| Ag4Se4 (4AgSe-1) | -0.02 eV/atom |
| AgSeI2, (1AgSeI2-1) | -0.01 eV/atom |
| Ag2I2Se2 (2AgISe-1) | 0.01 eV/atom |
| Ag2Se2 (2AgSe-1) | 0.02 eV/atom |
| AgI2 (1AgI2-3) | 0.03 eV/atom |
| Ag8Se12 (4Ag2Se3-1) | 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 |
| Ag2I6 (2AgI3-3) | 0.07 eV/atom |
| Ag2I6 (2AgI3-4) | 0.07 eV/atom |
| AgSe2 (1AgSe2-1) | 0.11 eV/atom |
| SeAg2 (1SeAg2-1) | 0.15 eV/atom |
| Ag2Se2 (2AgSe-4) | 0.15 eV/atom |
| Ag2Se2 (2AgSe-5) | 0.18 eV/atom |
| Ag2Se4 (2AgSe2-2) | 0.19 eV/atom |
| Se2 (2Se-1) | 0.21 eV/atom |
| AgSe2 (1AgSe2-2) | 0.22 eV/atom |
| Ag2Se2 (2AgSe-6) | 0.27 eV/atom |
| Se2 (2Se-2) | 0.29 eV/atom |
| Ag2 (2Ag-1) | 0.31 eV/atom |
| AgSe2 (1AgSe2-3) | 0.32 eV/atom |
| Miscellaneous details | |
|---|---|
| Unique ID | 1AgSeI2-1 |
| Number of atoms | 4 |
| Number of species | 3 |
| Formula | AgI2Se |
| Reduced formula | AgI2Se |
| Stoichiometry | ABC2 |
| Unit cell area [Å2] | 17.540 |
| Original file-system folder | /home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2/AgSeI2/AgSeI2-3470bf510dcd |
| Old uid | AgSeI2-08953a59dea4 |
| Space group (bulk in AA-stacking) | Cm |
| Space group number (bulk in AA-stacking) | 8 |
| Miscellaneous details | |
|---|---|
| Point group | m |
| Inversion symmetry | No |
| Layer group number | 13 |
| Layer group | cm11 |
| 2D Bravais type | Centered rectangular (oc) |
| Thickness [Å] | 5.159 |
| Structure origin | Lyngby22_CDVAE |
| Dynamically stable | Unknown |
| Energy [eV] | -9.328 |
| Energy above convex hull [eV/atom] | 0.122 |
| Heat of formation [eV/atom] | -0.012 |
