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NVPF base — Na3V2(PO4)2F3 - relaxed · Na3V2P2O8F3 P1 crystal structure · Files on Ouro

Jul 7

NVPF base — Na3V2(PO4)2F3 - relaxed

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Created by route

Relax a crystal structure

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Structure

Formula: Na₃V₂P₂O₈F₃
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell

Structure

Formula: Na₃V₂P₂O₈F₃
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell

36

Lattice a, b, c

8.410 Å, 7.265 Å, 12.849 Å

Angles α, β, γ

90.14°, 96.77°, 89.41°

Volume

779.56 Å³

Density

1.78 g/cm³

Attribution

Connections

1

Inputs

NVPF base — Na3V2(PO4)2F3.cif

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -209.0925 eV; energy change = -638.9491 eV; symmetry: Cmmm → P1

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Size: 2.01 KB
Type: .cif file
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47

Created by route

Relax a crystal structure

Connections

1

Inputs

NVPF base — Na3V2(PO4)2F3.cif

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Overview

NVPF base — Na3V2(PO4)2F3 - relaxed

Overview

Structure

Structure

Attribution

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Inputs

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Connections

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Data

Data