Formula:

C13 H14 O5

Crystal density:

1.43 g/cc

Color:

colorless

OMDB ID:

24447

COD ID:

2011802

Publication details:

Three 1,6-anhydro-\b-D-glycopyranose derivatives

Publisher:

Acta Crystallographica Section C, 2001, vol: 57, page: 298

Version History:

No changes

Crystallographic Information

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a 13.0265(7)
b 7.0672(3)
c 6.3376(2)
α 90
β 96.432(4)
γ 90
Download .cif file View in COD

Symmetry properties

Hermann-Mauguin symmetry space group P 1 21 1
Hall symmetry space group P 2yb
Space group IT number 4

Band structure and density of states

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* Warning! DFT is not very accurate in estimation of band gaps and tends to underestimate them.
Indirect band gap DFT GGA* (eV) 3.8345
Magnetization density (μB/Å3) 0
Effective light hole mass (me)  25.165
Effective heavy hole mass (me)  25.165
Effective electron mass (me)  12.774
Special points in the Brillouin zone
Density of states filters
Specie l m

Input files for DFT calculations (VASP)

Self-consistent
INCAR.gz POSCAR.gz KPOINTS.gz
Band structure
INCAR.gz POSCAR.gz KPOINTS.gz
Density of states
INCAR.gz POSCAR.gz KPOINTS.gz

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