Formula:

C14 H28 Br2

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

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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 COD link


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

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Indirect band gap DFT GGA* (eV) 5.3812
Magnetization density [μB3]  0
* Warning! DFT is not very accurate in estimation of band gaps and tends to underestimate them.
Special points in the Brillouin zone
Density of states filters
Specie l m

Input files for DFT calculations (VASP)

Self-consistent
Band structure
Density of states


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