Material classification and labeling
In order to perform meaningful search queries to the computations within the archive, it is critical that we can identify different materials and material categories and provide these as searchable entries. In the NOMAD-coe Encyclopedia, this was referred to as going from calculation oriented ( Archive) to materials oriented views (Encyclopedia).
Currently, such material categories and labels are identified from several sources (e.g. AFLOW prototypes and Springer Materials) and they are spread over different sections (section_springer_material, section_prototype). The classification currently depends on static data files that are outdated. Both the AFLOW prototype library data and the Springer data should thus be updated and some mechanism for automatically updating this information from the data source should be added.
To make searching more intuitive and to bring together these categorizations under a more generic framework we should also consider creating a separate section for this information. One possibility is to include this kind of information in the material section that is created by EncyclopediaNormalizer.
For example something like this:
material = {
material_hash = "...",
labels = [
{label: "superconductor" source: "springer", type: "electronical"},
{label: "ceramic" source: "ref1", type: "chemical"},
{label: "Afewfwf" source: "aflow_prototype_library", type: "symmetry"},
{label: "high entropy alloy" source: "ref2", type: "miscellaneous"}
],
sources = {
"springer": {link: ...},
"ref1": {link: ...},
"ref2": {link: ...},
"aflow_prototype_library": {link: ...}
},
}