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Formula:

C13 H11 Cl2 N2 Sb

Crystal density:

1.93 g/cc

Color:

yellow

Database ID:

179

COD ID:

4068112

Publication details:

Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?

Publisher:

Organometallics, 2012, vol: 31, page: 1025

Version History:

No changes

Crystallographic Information

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a 5.4428(5)
b 15.996(3)
c 7.7092(15)
α 90.00
β 96.317(10)
γ 90.00
Download .cif file View in COD

Symmetry properties

Hermann-Mauguin symmetry space group P 1 21/m 1
Hall symmetry space group -P 2yb
Space group IT number 11

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) 1.8574
Magnetization density (μB/Å3) 0
Effective light hole mass (me)  8.61
Effective heavy hole mass (me)  8.61
Effective electron mass (me)  4.398
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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