Structure info | |
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Layer group | p6/mmm |
Layer group number | 80 |
Structure origin | Lyngby22_LDP |
Stability | |
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Energy above convex hull [eV/atom] | 0.261 |
Heat of formation [eV/atom] | 0.137 |
Dynamically stable | Unknown |
Basic properties | |
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Symmetries | |
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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 | |
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Formula | SeCu2 |
Stoichiometry | AB2 |
Number of atoms | 3 |
Unit cell area [Å2] | 15.921 |
Thickness [Å] | 0.000 |
SeCu2 (1SeCu2-1) | |
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Heat of formation [eV/atom] | 0.14 |
Energy above convex hull [eV/atom] | 0.26 |
Monolayers from C2DB | |
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Se2Cu3 (1Se2Cu3-1) | -0.11 eV/atom |
Se2Cu4 (2SeCu2-1) | -0.11 eV/atom |
Cu2Se2 (2CuSe-1) | -0.09 eV/atom |
Cu2Se2 (2CuSe-2) | -0.08 eV/atom |
Cu2Se2 (2CuSe-3) | -0.07 eV/atom |
Se5Cu6 (1Se5Cu6-1) | -0.07 eV/atom |
Se2Cu4 (2SeCu2-2) | -0.04 eV/atom |
Cu2Se2 (2CuSe-4) | -0.04 eV/atom |
Cu2Se4 (2CuSe2-1) | -0.00 eV/atom |
Cu2Se2 (2CuSe-5) | 0.02 eV/atom |
CuSe2 (1CuSe2-1) | 0.03 eV/atom |
Cu2Se4 (2CuSe2-2) | 0.10 eV/atom |
CuSe2 (1CuSe2-2) | 0.12 eV/atom |
Cu2Se2 (2CuSe-6) | 0.12 eV/atom |
SeCu2, (1SeCu2-1) | 0.14 eV/atom |
CuSe2 (1CuSe2-3) | 0.17 eV/atom |
Se2 (2Se-1) | 0.21 eV/atom |
Se2 (2Se-2) | 0.29 eV/atom |
Miscellaneous details | |
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Unique ID | 1SeCu2-1 |
Number of atoms | 3 |
Number of species | 2 |
Formula | SeCu2 |
Reduced formula | SeCu2 |
Stoichiometry | AB2 |
Unit cell area [Å2] | 15.921 |
Original file-system folder | /home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/SeCu2/SeCu2-1f1b96ae75c0 |
Old uid | SeCu2-1f1b96ae75c0 |
Space group (bulk in AA-stacking) | P6/mmm |
Space group number (bulk in AA-stacking) | 191 |
Miscellaneous details | |
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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] | -10.425 |
Energy above convex hull [eV/atom] | 0.261 |
Heat of formation [eV/atom] | 0.137 |