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template-CaVAsF - relaxed

Name: template-CaVAsF - relaxed
Creator: will
Published: 2026-06-29T22:14:02.851723+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

template-CaVAsF

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Structure

Formula: CaVAsF
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 4.060 Å4.060 Å8.882 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 146.38 Å³
Density: 4.20 g/cm³

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CaVAsF phase diagram.html
Calculate energy above the convex hull

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CIF calculated properties

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Structure

Formula: CaVAsF
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 4.060 Å4.060 Å8.882 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 146.38 Å³
Density: 4.20 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -44.5285 eV; energy change = -0.0080 eV; symmetry: P4/nmm → P4/nmm

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Size: 950 B
Type: .cif file
Downloads: 0

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Included in datasets

CIF calculated properties

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template-CaVAsF - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data