httk.atomistic.compound module¶
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class
httk.atomistic.compound.
Compound
(element_wyckoff_sequence, formula, spacegroup_number, extended, extensions, wyckoff_sequence, anonymous_wyckoff_sequence, anonymous_formula, formula_symbols, formula_counts, pbc)[source]¶ Bases:
httk.core.httkobject.HttkObject
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anonymous_formula
¶
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anonymous_wyckoff_sequence
¶
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classmethod
create
(base_on_structure=None, lift_tags=True, lift_refs=True)[source]¶ struct: Structure object which forms the basis of this object
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formula_counts
¶
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formula_symbols
¶
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number_of_elements
¶
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wyckoff_sequence
¶
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