smact.lattice_parameters module
This module can be used to calculate roughly the lattice parameters of a lattice type, based on the radii of the species on each site.
- smact.lattice_parameters.b10(shannon_radius)[source]
The lattice parameters of Litharge
- Parameters
shannon_radius (list) – The radii of the a,b ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.b2(shannon_radius)[source]
The lattice parameters of b2.
- Parameters
shannon_radius (list) – The radii of the a,b ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.bcc(covalent_radius)[source]
The lattice parameters of the A2.
- Parameters
shannon_radius (list) – The radii of the a ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.bct(covalent_radius)[source]
The lattice parameters of the bct.
- Parameters
shannon_radius (list) – The radii of the a ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.cubic_perovskite(shannon_radius)[source]
The lattice parameters of the cubic perovskite structure.
- Parameters
shannon_radius (list) – The radii of the a,b,c ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.diamond(covalent_radius)[source]
The lattice parameters of the diamond.
- Parameters
shannon_radius (list) – The radii of the a ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.fcc(covalent_radius)[source]
The lattice parameters of the A1.
Args: shannon_radius (list) : The radii of the a ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.hcp(covalent_radius)[source]
The lattice parameters of the hcp.
- Parameters
shannon_radius (list) – The radii of the a ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.rocksalt(shannon_radius)[source]
The lattice parameters of rocksalt.
- Parameters
shannon_radius (list) – The radii of the a,b ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)
- smact.lattice_parameters.stuffed_wurtzite(shannon_radii)[source]
The stuffed wurtzite structure (e.g. LiGaGe) space group P63/mc.
- Parameters
shannon_radius (list) – The radii of the a,b,c ions
- Returns
float values of lattics constants and angles (a, b, c, alpha, beta, gamma)
- Return type
(tuple)