Structure info
Layer group p-6m2
Layer group number 78
Structure origin Lyngby22_LDP
Stability
Energy above convex hull [eV/atom] 0.178
Heat of formation [eV/atom] 0.122
Dynamically stable Unknown
Basic properties
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.329 -0.000 0.000 Yes
2 -2.164 3.749 0.000 Yes
3 0.000 -0.000 17.916 No
Lengths [Å] 4.329 4.329 17.916
Angles [°] 90.000 90.000 120.000

Symmetries
2D Bravais type Hexagonal (hp)
Layer group number 78
Layer group p-6m2
Space group number (bulk in AA-stacking) 187
Space group (bulk in AA-stacking) P-6m2
Point group -6m2
Inversion symmetry No
Structure data
Formula Ag2S2
Stoichiometry AB
Number of atoms 4
Unit cell area [Å2] 16.226
Thickness [Å] 2.895

Ag2S2 (2AgS-2)
Heat of formation [eV/atom] 0.12
Energy above convex hull [eV/atom] 0.18
Monolayers from C2DB
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
Bulk crystals from OQMD123
Ag4S2 -0.07 eV/atom
Ag4 0.00 eV/atom
S48 0.00 eV/atom

Miscellaneous details
Unique ID 2AgS-2
Number of atoms 4
Number of species 2
Formula Ag2S2
Reduced formula AgS
Stoichiometry AB
Unit cell area [Å2] 16.226
Original file-system folder /home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgS/Ag2S2-ada5d8ba4852
Old uid Ag2S2-faeac08286c5
Space group (bulk in AA-stacking) P-6m2
Space group number (bulk in AA-stacking) 187
Miscellaneous details
Point group -6m2
Inversion symmetry No
Layer group number 78
Layer group p-6m2
2D Bravais type Hexagonal (hp)
Thickness [Å] 2.895
Structure origin Lyngby22_LDP
Dynamically stable Unknown
Energy [eV] -13.348
Energy above convex hull [eV/atom] 0.178
Heat of formation [eV/atom] 0.122
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