Structure info
Layer group p2_1/b11
Layer group number 17
Structure origin Lyngby22_LDP
Stability
Energy above convex hull [eV/atom] 0.221
Heat of formation [eV/atom] 0.198
Dynamically stable Unknown
Basic properties
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 8.016 0.000 0.000 Yes
2 -0.000 11.775 0.000 Yes
3 0.000 -0.000 32.926 No
Lengths [Å] 8.016 11.775 32.926
Angles [°] 90.000 90.000 90.000

Symmetries
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
Formula Ag4S16
Stoichiometry AB4
Number of atoms 20
Unit cell area [Å2] 94.391
Thickness [Å] 4.498

Ag4S16 (4AgS4-1)
Heat of formation [eV/atom] 0.20
Energy above convex hull [eV/atom] 0.22
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 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
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
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