Na3(Co0.50V1.50)(PO4)2F3 — exact Park et al. composition. 2x1x1 supercell (72 atoms), 2 Co + 6 V on metal site. Built via supercell route output + manual substitutional doping. Source: Park et al. npj Comput Mater 2026.
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NVPF Co0.50 (route-rebuilt) — Na3(Co0.50V1.50)(PO4)2F3 · Files on Ouro
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Relax a crystal structure
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Structure sanity card for a CIF
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DFT structure relaxation
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Structure relaxation via NequIP-OAM-XL
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Relax a crystal structure with animation
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Crystal-Likeness Score (synthesizability) from CIF