How is metallicity determined via pymatgen for the `mp_is_metal` classification task?

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Matbench: Benchmarks for materials science property prediction

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How is metallicity determined via pymatgen for the `mp_is_metal` classification task? #122

Open sgbaird opened 2 years ago

sgbaird commented 2 years ago

is_metal: Target variable. 1 if the compound is a metal, 0 if the compound is not a metal. Metallicity determined with pymatgen

(source)

Was this determined via BandStructure is_metal?

ardunn commented 2 years ago

Metallicity was determined using the API is_metal attribute if I remember correctly. though when the dataset was created this was several years ago now, so the value of is_metal is probably different now for some materials....

All the more reason to update the benchmark :D