Overview: Mn₂S₁₀

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

Stability
Energy above convex hull [eV/atom]	0.312
Heat of formation [eV/atom]	0.029
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	5.444	-0.000	0.000	Yes
2	0.000	6.152	0.000	Yes
3	-0.000	-0.000	34.001	No

Lengths [Å]	5.444	6.152	34.001
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	Mn2S10
Stoichiometry	AB5
Number of atoms	12
Unit cell area [Å2]	33.492
Thickness [Å]	4.507

Stability

Convex hull

Mn2S10 (2MnS5-1)
Heat of formation [eV/atom]	0.03
Energy above convex hull [eV/atom]	0.31

Monolayers from C2DB
MnS2 (1MnS2-1)	-0.57 eV/atom
Mn3S4 (1Mn3S4-1)	-0.49 eV/atom
Mn2S2 (2MnS-1)	-0.49 eV/atom
MnS2 (1MnS2-2)	-0.45 eV/atom
Mn4S4 (4MnS-1)	-0.43 eV/atom
Mn2S2 (2MnS-2)	-0.41 eV/atom
Mn2S4 (2MnS2-1)	-0.40 eV/atom
Mn2S2 (2MnS-3)	-0.37 eV/atom
Mn2S2 (2MnS-4)	-0.35 eV/atom
MnS2 (1MnS2-3)	-0.23 eV/atom
Mn2S2 (2MnS-5)	-0.19 eV/atom
Mn2S2 (2MnS-6)	-0.18 eV/atom
Mn2S2 (2MnS-7)	-0.18 eV/atom
Mn2S10, (2MnS5-1)	0.03 eV/atom
S2 (2S-1)	0.45 eV/atom
S2 (2S-2)	0.62 eV/atom

Bulk crystals from OQMD123
Mn4S6	-0.54 eV/atom
Mn2S2	-0.45 eV/atom
Mn29	0.00 eV/atom
S48	0.00 eV/atom

Miscellaneous

Miscellaneous details
Unique ID	2MnS5-1
Number of atoms	12
Number of species	2
Formula	Mn2S10
Reduced formula	MnS5
Stoichiometry	AB5
Unit cell area [Å2]	33.492
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB5/MnS5/Mn2S10-b7e993b984ee
Old uid	Mn2S10-fac0699a5d39
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]	4.507
Structure origin	Lyngby22_LDP
Dynamically stable	Unknown
Energy [eV]	-59.868
Energy above convex hull [eV/atom]	0.312
Heat of formation [eV/atom]	0.029