Overview: P₄S₁₀

Structure info
Layer group	pm2_1n
Layer group number	32
Structure origin	Lyngby22_LDP

Stability
Energy above convex hull [eV/atom]	0.146
Heat of formation [eV/atom]	-0.012
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	6.467	-0.000	0.000	Yes
2	0.000	8.280	0.000	Yes
3	-0.000	-0.000	35.547	No

Lengths [Å]	6.467	8.280	35.547
Angles [°]	90.000	90.000	90.000

Crystal structure

Symmetries
2D Bravais type	Rectangular (op)
Layer group number	32
Layer group	pm2_1n
Space group number (bulk in AA-stacking)	31
Space group (bulk in AA-stacking)	Pmn2_1
Point group	mm2
Inversion symmetry	No

Structure data
Formula	P4S10
Stoichiometry	A2B5
Number of atoms	14
Unit cell area [Å2]	53.543
Thickness [Å]	6.288

Stability

Convex hull

P4S10 (2P2S5-1)
Heat of formation [eV/atom]	-0.01
Energy above convex hull [eV/atom]	0.15

Monolayers from C2DB
P4S6 (2P2S3-1)	-0.14 eV/atom
P4S6 (2P2S3-2)	-0.13 eV/atom
P4S6 (2P2S3-3)	-0.13 eV/atom
P8S12 (4P2S3-1)	-0.12 eV/atom
P4S8 (4PS2-1)	-0.11 eV/atom
P2S5 (1P2S5-1)	-0.11 eV/atom
P4S6 (2P2S3-4)	-0.07 eV/atom
P4S8 (4PS2-2)	-0.02 eV/atom
PS2 (1PS2-1)	-0.01 eV/atom
P4S10, (2P2S5-1)	-0.01 eV/atom
P4 (4P-1)	0.04 eV/atom
P2 (2P-1)	0.04 eV/atom
PS2 (1PS2-2)	0.07 eV/atom
P2S3 (1P2S3-1)	0.08 eV/atom
P4S14 (2P2S7-1)	0.16 eV/atom
PS2 (1PS2-3)	0.37 eV/atom
S2 (2S-1)	0.45 eV/atom
S2 (2S-2)	0.62 eV/atom

Bulk crystals from OQMD123
P16S28	-0.17 eV/atom
P8S10	-0.16 eV/atom
P8S20	-0.16 eV/atom
P16S12	-0.14 eV/atom
P8S28	-0.12 eV/atom
P42	0.00 eV/atom
S48	0.00 eV/atom

Miscellaneous

Miscellaneous details
Unique ID	2P2S5-1
Number of atoms	14
Number of species	2
Formula	P4S10
Reduced formula	P2S5
Stoichiometry	A2B5
Unit cell area [Å2]	53.543
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A2B5/P2S5/P4S10-f16b41632c7b
Old uid	P4S10-6102a64583b4
Space group (bulk in AA-stacking)	Pmn2_1
Space group number (bulk in AA-stacking)	31

Miscellaneous details
Point group	mm2
Inversion symmetry	No
Layer group number	32
Layer group	pm2_1n
2D Bravais type	Rectangular (op)
Thickness [Å]	6.288
Structure origin	Lyngby22_LDP
Dynamically stable	Unknown
Energy [eV]	-62.404
Energy above convex hull [eV/atom]	0.146
Heat of formation [eV/atom]	-0.012