Formula:

C14 H28 Br2

Crystal density:

1.44 g/cc

Color:

colorless

OMDB ID:

27506

COD ID:

2202134

Publication details:

1,14-Dibromotetradecane

Publisher:

Acta Crystallographica Section E, 2003, vol: 59, page: o708

Version History:

No changes

Crystallographic Information

Explore
Interact
a 5.486(6)
b 5.389(7)
c 27.827(4)
α 90.0
β 93.38(4)
γ 90.0
Download .cif file View in COD

Symmetry properties

Hermann-Mauguin symmetry space group P 1 21/n 1
Hall symmetry space group -P 2yn
Space group IT number 14

Band structure and density of states

Select a range with the left mouse button to zoom in


* Warning! DFT is not very accurate in estimation of band gaps and tends to underestimate them.
Indirect band gap DFT GGA* (eV) 5.3812
Magnetization density (μB/Å3) 0
Effective light hole mass (me)  24.2257
Effective heavy hole mass (me)  24.9443
Effective electron mass (me)  4.23
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

Community Contributions

Add your contribution

There isn't any community contribution for this material.

Services

Propose or request a new service

There isn't any service proposal or request for this material.

Similar Materials

See the similar materials for this material by logging in or registering for free.

Comments

See the community comments for this material by logging in or registering for free.