Formula:

C9 H11 Na O6

OMDB ID:

36106

COD ID:

4505088


Publication details:

Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate

Publisher:

Crystal Growth & Design, 2005, vol: 5, page: 1271


Version History:

No changes

Crystallographic Information

Explore
Interact
a 9.2006(14)
b 4.9116(8)
c 21.385(3)
α 90.00
β 96.835(5)
γ 90.00
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

Select a range with the left mouse button to zoom in


Indirect band gap DFT GGA* (eV) 4.2337
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


Community Contributions

There isn't any community contribution for this material.



There isn't any service proposal or request for this material.



Similar Materials

See the similar materials for this material by logging in or registering for free.


Comments

See the community comments for this material by logging in or registering for free.