Structure info | |
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Layer group | p2_1/b11 |
Layer group number | 17 |
Structure origin | Lyngby22_LDP |
Stability | |
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Energy above convex hull [eV/atom] | 0.221 |
Heat of formation [eV/atom] | 0.198 |
Dynamically stable | Unknown |
Basic properties | |
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Symmetries | |
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2D Bravais type | Rectangular (op) |
Layer group number | 17 |
Layer group | p2_1/b11 |
Space group number (bulk in AA-stacking) | 14 |
Space group (bulk in AA-stacking) | P2_1/c |
Point group | 2/m |
Inversion symmetry | Yes |
Structure data | |
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Formula | Ag4S16 |
Stoichiometry | AB4 |
Number of atoms | 20 |
Unit cell area [Å2] | 94.391 |
Thickness [Å] | 4.498 |
Ag4S16 (4AgS4-1) | |
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Heat of formation [eV/atom] | 0.20 |
Energy above convex hull [eV/atom] | 0.22 |
Monolayers from C2DB | |
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S2Ag4 (2SAg2-1) | -0.08 eV/atom |
S4Ag8 (4SAg2-1) | -0.07 eV/atom |
S2Ag4 (2SAg2-2) | -0.04 eV/atom |
S4Ag8 (4SAg2-2) | 0.00 eV/atom |
Ag6S6 (6AgS-1) | 0.03 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 |
Ag2S2 (2AgS-2) | 0.12 eV/atom |
Ag4S16, (4AgS4-1) | 0.20 eV/atom |
SAg2 (1SAg2-1) | 0.23 eV/atom |
Ag2S2 (2AgS-3) | 0.23 eV/atom |
Ag2S2 (2AgS-4) | 0.25 eV/atom |
Ag2S2 (2AgS-5) | 0.28 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 |
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 | |
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Unique ID | 4AgS4-1 |
Number of atoms | 20 |
Number of species | 2 |
Formula | Ag4S16 |
Reduced formula | AgS4 |
Stoichiometry | AB4 |
Unit cell area [Å2] | 94.391 |
Original file-system folder | /home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB4/AgS4/Ag4S16-7dec811121ad |
Old uid | Ag4S16-c9b02b22b33f |
Space group (bulk in AA-stacking) | P2_1/c |
Space group number (bulk in AA-stacking) | 14 |
Miscellaneous details | |
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Point group | 2/m |
Inversion symmetry | Yes |
Layer group number | 17 |
Layer group | p2_1/b11 |
2D Bravais type | Rectangular (op) |
Thickness [Å] | 4.498 |
Structure origin | Lyngby22_LDP |
Dynamically stable | Unknown |
Energy [eV] | -72.639 |
Energy above convex hull [eV/atom] | 0.221 |
Heat of formation [eV/atom] | 0.198 |