casm.project.Prim
- class casm.project.Prim(proj)[source]
The Primitive Crystal Structure
- proj
the CASM project the Prim belongs to
- Type:
casm.Project
- lattice_matrix
lattice vectors as matrix columns
- Type:
np.array of shape (3, 3)
- lattice_parameters
- Lattice parameters and angles (in degrees), as:
{‘a’:a, ‘b’:b, ‘c’:c, ‘alpha’:alpha, ‘beta’:beta, ‘gamma’:gamma}
- Type:
dict
- basis
crystal basis, as read directly from prim.json (format may change)
- Type:
List(dict)
- coordinate_mode
crystal basis coordinate_mode, as read directly from prim.json (format may change)
- Type:
str
- lattice_symmetry_s
lattice point group, in Schoenflies notation
- Type:
str
- lattice_symmetry_hm
lattice point group, in Hermann-Mauguin notation
- Type:
str
- lattice_system
lattice system name, (‘cubic’, ‘hexagonal’, ‘rhombohedral’, etc.)
- Type:
str
- crystal_symmetry_s
crystal point group, in Schoenflies notation
- Type:
str
- crystal_symmetry_hm
crystal point group, in Hermann-Mauguin notation
- Type:
str
- crystal_system
crystal system name, (‘cubic’, ‘hexagonal’, ‘trigonal’, etc.)
- Type:
str
- crystal_family
crystal family name, (‘cubic’, ‘hexagonal’, etc.)
- Type:
str
- space_group_number
range of possible space group number
- Type:
str
Construct a CASM Prim
- Parameters:
proj (casm.Project, optional, default=Project containing the current working directory) – the CASM project the Prim belongs to
- __init__(proj)[source]
Construct a CASM Prim
- Parameters:
proj (casm.Project, optional, default=Project containing the current working directory) – the CASM project the Prim belongs to
Methods
__init__(proj)Construct a CASM Prim