Structure info | |
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Layer group | p4/nmm |
Layer group number | 64 |
Structure origin | Lyngby22_LDP |
Stability | |
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Energy above convex hull [eV/atom] | 0.151 |
Heat of formation [eV/atom] | -0.386 |
Dynamically stable | Unknown |
Basic properties | |
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Symmetries | |
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2D Bravais type | Square (tp) |
Layer group number | 64 |
Layer group | p4/nmm |
Space group number (bulk in AA-stacking) | 129 |
Space group (bulk in AA-stacking) | P4/nmm |
Point group | 4/mmm |
Inversion symmetry | Yes |
Structure data | |
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Formula | In2Se2 |
Stoichiometry | AB |
Number of atoms | 4 |
Unit cell area [Å2] | 16.640 |
Thickness [Å] | 3.186 |
In2Se2 (2InSe-4) | |
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Heat of formation [eV/atom] | -0.39 |
Energy above convex hull [eV/atom] | 0.15 |
Monolayers from C2DB | |
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In2Se2 (2InSe-1) | -0.54 eV/atom |
In2Se2 (2InSe-2) | -0.53 eV/atom |
In4Se6 (2In2Se3-1) | -0.53 eV/atom |
In2Se3 (1In2Se3-1) | -0.53 eV/atom |
In8Se12 (4In2Se3-1) | -0.51 eV/atom |
In3Se4 (1In3Se4-1) | -0.51 eV/atom |
In2Se2 (2InSe-3) | -0.50 eV/atom |
In2Se3 (1In2Se3-2) | -0.50 eV/atom |
Se12In13 (1Se12In13-1) | -0.49 eV/atom |
In2Se3 (1In2Se3-3) | -0.48 eV/atom |
Se12In14 (2Se6In7-1) | -0.44 eV/atom |
Se12In15 (3Se4In5-1) | -0.42 eV/atom |
In2Se2, (2InSe-4) | -0.39 eV/atom |
In2Se5 (1In2Se5-1) | -0.36 eV/atom |
In2Se2 (2InSe-5) | -0.29 eV/atom |
In2Se2 (2InSe-6) | -0.23 eV/atom |
In2Se4 (2InSe2-1) | -0.22 eV/atom |
InSe2 (1InSe2-1) | -0.21 eV/atom |
In2Se3 (1In2Se3-4) | -0.16 eV/atom |
In2Se4 (2InSe2-2) | -0.16 eV/atom |
In2Se4 (2InSe2-3) | -0.11 eV/atom |
In2Se4 (2InSe2-4) | -0.04 eV/atom |
InSe4 (1InSe4-1) | 0.04 eV/atom |
Se2 (2Se-1) | 0.21 eV/atom |
Se2 (2Se-2) | 0.29 eV/atom |
Miscellaneous details | |
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Unique ID | 2InSe-4 |
Number of atoms | 4 |
Number of species | 2 |
Formula | In2Se2 |
Reduced formula | InSe |
Stoichiometry | AB |
Unit cell area [Å2] | 16.640 |
Original file-system folder | /home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/InSe/In2Se2-c1e779f94ee4 |
Old uid | In2Se2-21eba7beadff |
Space group (bulk in AA-stacking) | P4/nmm |
Space group number (bulk in AA-stacking) | 129 |
Miscellaneous details | |
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Point group | 4/mmm |
Inversion symmetry | Yes |
Layer group number | 64 |
Layer group | p4/nmm |
2D Bravais type | Square (tp) |
Thickness [Å] | 3.186 |
Structure origin | Lyngby22_LDP |
Dynamically stable | Unknown |
Energy [eV] | -14.037 |
Energy above convex hull [eV/atom] | 0.151 |
Heat of formation [eV/atom] | -0.386 |