Package magpie.attributes.generators.prototype

Attributes for datasets where the material is entirely composed of materials with the same prototype crystal structure.

See: Description

Class Summary

Class	Description
PairSiteAttributeGenerator	Generate attributes based on the differences in properties between pairs of sites.
SingleSiteAttributeGenerator	Create attributes based on the properties of elements on each group of equivalent sites in a crystal.

Package magpie.attributes.generators.prototype Description

Attributes for datasets where the material is entirely composed of materials with the same prototype crystal structure. Here, each atom in the crystal can be assigned to specific sites, which makes it possible to extract more information about a material than simply from its composition.