Formula:

C3 H10 As I

Crystal density:

2.33 g/cc

Color:

colorless

OMDB ID:

19840

COD ID:

2207459

Publication details:

Trimethylarsonium iodide

Publisher:

Acta Crystallographica Section E, 2005, vol: 61, page: o4229

Version History:

No changes

Crystallographic Information

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a 14.174(3)
b 8.0458(16)
c 6.2037(12)
α 90.00
β 90.00
γ 90.00
Download .cif file View in COD

Symmetry properties

Hermann-Mauguin symmetry space group P n m a
Hall symmetry space group -P 2ac 2n
Space group IT number 62

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.
Direct band gap DFT GGA* (eV) 3.6404
Magnetization density (μB/Å3) 0
Effective light hole mass (me)  94.8767
Effective heavy hole mass (me)  94.8767
Effective electron mass (me)  1.5667
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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