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A powder XRD structure solution library for inorganic compounds that couples efficient symmetry-aware structure generation with density functional theory based atomic position relaxations.

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CAMD-XRD

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A powder XRD structure solution library for inorganic compounds that couples efficient symmetry-aware structure generation with density functional theory based atomic position relaxations.

density-functional-theory crystallography crystal-structure xrd x-ray inorganic-chemistry structure-solution

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