| Structure info | |
|---|---|
| Layer group | pmmm |
| Layer group number | 37 |
| Structure origin | Lyngby22_CDVAE |
| Stability | |
|---|---|
| Energy above convex hull [eV/atom] | 0.327 |
| Heat of formation [eV/atom] | -0.615 |
| Dynamically stable | Unknown |
| Basic properties | |
|---|---|
| Symmetries | |
|---|---|
| 2D Bravais type | Rectangular (op) |
| Layer group number | 37 |
| Layer group | pmmm |
| Space group number (bulk in AA-stacking) | 47 |
| Space group (bulk in AA-stacking) | Pmmm |
| Point group | mmm |
| Inversion symmetry | Yes |
| Structure data | |
|---|---|
| Formula | SeBr2Al |
| Stoichiometry | ABC2 |
| Number of atoms | 4 |
| Unit cell area [Å2] | 17.701 |
| Thickness [Å] | 3.612 |
| AlSeBr2 (1AlSeBr2-1) | |
|---|---|
| Heat of formation [eV/atom] | -0.61 |
| Energy above convex hull [eV/atom] | 0.33 |
| Monolayers from C2DB | |
|---|---|
| Al2Br6 (2AlBr3-1) | -1.12 eV/atom |
| Al2Br6 (2AlBr3-2) | -1.04 eV/atom |
| Al4Br4Se4 (4AlBrSe-1) | -1.00 eV/atom |
| Al2Br2Se2 (2AlBrSe-1) | -1.00 eV/atom |
| Al2Br2Se2 (2AlBrSe-2) | -0.94 eV/atom |
| Al2Br6 (2AlBr3-3) | -0.93 eV/atom |
| Al8Se12 (4Al2Se3-1) | -0.86 eV/atom |
| Al4Se6 (2Al2Se3-1) | -0.84 eV/atom |
| Al4Se6 (2Al2Se3-2) | -0.83 eV/atom |
| Al4Se6 (2Al2Se3-3) | -0.81 eV/atom |
| Al2Se3 (1Al2Se3-1) | -0.79 eV/atom |
| Al6Se9 (3Al2Se3-1) | -0.77 eV/atom |
| Al2Se3 (1Al2Se3-2) | -0.77 eV/atom |
| Al2Br4 (2AlBr2-1) | -0.74 eV/atom |
| Al3Se4 (1Al3Se4-1) | -0.72 eV/atom |
| Al2Se2 (2AlSe-1) | -0.72 eV/atom |
| Al2Se2 (2AlSe-2) | -0.71 eV/atom |
| Al2Se2 (2AlSe-3) | -0.69 eV/atom |
| AlBr2 (1AlBr2-1) | -0.64 eV/atom |
| AlSeBr2, (1AlSeBr2-1) | -0.61 eV/atom |
| Al2Se5 (1Al2Se5-1) | -0.60 eV/atom |
| AlBr2 (1AlBr2-2) | -0.59 eV/atom |
| Al2Se4 (2AlSe2-1) | -0.55 eV/atom |
| AlSe2 (1AlSe2-1) | -0.55 eV/atom |
| AlBr2 (1AlBr2-3) | -0.46 eV/atom |
| Al2Br2 (2AlBr-1) | -0.42 eV/atom |
| Al2Se2 (2AlSe-4) | -0.36 eV/atom |
| Al2Se4 (2AlSe2-2) | -0.31 eV/atom |
| Al2Se2 (2AlSe-5) | -0.14 eV/atom |
| AlSe4 (1AlSe4-1) | -0.13 eV/atom |
| Se2Br5 (1Se2Br5-1) | -0.06 eV/atom |
| Al2Br2 (2AlBr-2) | -0.04 eV/atom |
| Se2 (2Se-1) | 0.21 eV/atom |
| Se2 (2Se-2) | 0.29 eV/atom |
| Miscellaneous details | |
|---|---|
| Unique ID | 1AlSeBr2-1 |
| Number of atoms | 4 |
| Number of species | 3 |
| Formula | SeBr2Al |
| Reduced formula | SeBr2Al |
| Stoichiometry | ABC2 |
| Unit cell area [Å2] | 17.701 |
| Original file-system folder | /home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2/AlSeBr2/AlSeBr2-5d3490689206 |
| Old uid | AlSeBr2-da14620e94dc |
| Space group (bulk in AA-stacking) | Pmmm |
| Space group number (bulk in AA-stacking) | 47 |
| Miscellaneous details | |
|---|---|
| Point group | mmm |
| Inversion symmetry | Yes |
| Layer group number | 37 |
| Layer group | pmmm |
| 2D Bravais type | Rectangular (op) |
| Thickness [Å] | 3.612 |
| Structure origin | Lyngby22_CDVAE |
| Dynamically stable | Unknown |
| Energy [eV] | -12.849 |
| Energy above convex hull [eV/atom] | 0.327 |
| Heat of formation [eV/atom] | -0.615 |
