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.
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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)
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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)
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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)
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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)
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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)
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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)
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smact.lattice_parameters.
fcc
(covalent_radius)[source]¶ The lattice parameters of the A1.
Args: shannon_radius (list) : The radii of the a ionsReturns: float values of lattics constants and angles (a, b, c, alpha, beta, gamma) Return type: (tuple)
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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)
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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)
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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)