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Na12Mn3V5P8(O8F3)4 phase diagram · Files on Ouro

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Na12Mn3V5P8(O8F3)4 phase diagram

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Na12Mn3V5P8(O8F3)4 phase diagram

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Phase diagram of Na12Mn3V5P8(O8F3)4 with Orb v3 conservative inf MPA; e_above_hull: 0.688726 eV/atom; predicted_stable: False

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NVPF Mn0.75 — Na3(Mn0.75V1.25)(PO4)2F3
.cif
Na3(Mn0.75V1.25)(PO4)2F3 — exact paper composition for best practical candidate. 2x1x1 supercell, 72 atoms, 3 Mn + 5 V on metal site. P4_2/mnm parent. Source: Park et al. npj Comput Mater 2026.

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NVPF Mn0.75 — Na3(Mn0.75V1.25)(PO4)2F3
.cif
Na3(Mn0.75V1.25)(PO4)2F3 — exact paper composition for best practical candidate. 2x1x1 supercell, 72 atoms, 3 Mn + 5 V on metal site. P4_2/mnm parent. Source: Park et al. npj Comput Mater 2026.

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Calculate energy above the convex hull

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Calculate energy above the convex hull

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Na12Mn3V5P8(O8F3)4 phase diagram

Na12Mn3V5P8(O8F3)4 phase diagram

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Overview

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