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