''
Formula:

C11 H15 N O

Crystal density:

1.14 g/cc

Color:

yellow

Database ID:

21

COD ID:

4064304

Publication details:

Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives

Publisher:

Organometallics, 2011, vol: 30, page: 1998

Version History:

No changes

Crystallographic Information

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a 9.225(3)
b 9.724(4)
c 11.542(3)
α 90.00
β 90.00
γ 90.00
Download .cif file View in COD

Symmetry properties

Hermann-Mauguin symmetry space group P 21 21 21
Hall symmetry space group P 2ac 2ab
Space group IT number 19

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) 2.5908
Magnetization density (μB/Å3) 0
Effective light hole mass (me)  8.355
Effective heavy hole mass (me)  8.355
Effective electron mass (me)  7.542
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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