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materialsprojectlink's Introduction

MaterialsProjectLink

Materials Project data using Wolfram

Intall

PacletInstall["KirillBelov/MaterialsProjectLink"]

Import

<<KirillBelov`MaterialsProjectLink`

Available functions

?KirillBelov`MaterialsProjectLink`*

Basic examples

Dataset[getSummaryByMaterialId["mp-149", allFields -> True][["data", 1]]]
_id 633dfed93e1d94017bd5a70c
builder_meta <|emmet_version -> 0.36.9, pymatgen_version -> 2022.4.19, pull_request -> Null, database_version -> Null, build_date -> 2022-10-05T22:00:26.541000|>
nsites 2
elements {Si}
nelements 1
composition <|Si -> 2.0|>
composition_reduced <|Si -> 1.0|>
formula_pretty Si
formula_anonymous A
chemsys Si
volume 40.8883
density 2.28119
density_atomic 20.4441
symmetry <|crystal_system -> Cubic, symbol -> Fd-3m, number -> 227, point_group -> m-3m, symprec -> 0.1, version -> 1.16.2|>
property_name summary
material_id mp-149
deprecated False
deprecation_reasons Null
last_updated 2022-10-05T22:00:26.541000
origins {}
warnings {}
structure <|@module -> pymatgen.core.structure, @class -> Structure, charge -> 0, lattice -> ...|>
... ...

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