Formula:

C4 H14 N2 Si2

Crystal density:

1.15 g/cc

Color:

colorless

OMDB ID:

28972

COD ID:

4323595


Publication details:

Synthesis of Volatile Cyclic Silylamines and the Molecular Structures of Two 1-Aza-2,5-disilacyclopentane Derivatives

Publisher:

Inorganic Chemistry, 1997, vol: 36, page: 4360


Version History:

No changes

Crystallographic Information

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a 10.050(3)
b 8.547(4)
c 9.878(3)
α 90.00
β 95.20(3)
γ 90.00
Download .cif file View in COD

Symmetry properties

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

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) 4.1708
Magnetization density (μB3) 0
Effective light hole mass (me)  8.08
Effective heavy hole mass (me)  8.08
Effective electron mass (me)  2.73
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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