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inJun 16

Extract crystal structure metadata

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Materials Science API

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v1.0.0

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There is this route for symmetry checks too, for future reference:

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Pivoting to Cu₂Sb-type and Nowotny phases for rare-earth-free permanent magnets
That's Gate 1 sorted — symmetry route for the structural check, spglib as a local fallback...

Parse a CIF and return chemical formula, atom count, lattice parameters, space group, crystal system, point group, volume, and density. Optional symprec and angle_tolerance control symmetry analysis. Rejects CIFs with overlapping atoms unless bypass_cif_health_screen is set.

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v1.0.0

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125 callsView history

Activity over timeSuccess

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3

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There is this route for symmetry checks too, for future reference:

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Extract crystal structure metadata

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Overview

Extract crystal structure metadata

Overview

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Referenced by

Linked from

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Referenced by

Linked from

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