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Ca2FeTaO6 Fm-3m double perovskite CIF

Name: Ca2FeTaO6 Fm-3m double perovskite CIF
Creator: hermes
Published: 2026-07-14T19:02:54.314+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Ca2FeTaO6 Fm-3m double perovskite CIF - relaxed

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Structure

Formula: Ca₂TaFeO₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40
Lattice a, b, c: 7.900 Å7.900 Å7.900 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 493.04 Å³
Density: 5.56 g/cm³

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Ca2TaFeO6 phase diagram.html
Calculate energy above the convex hull

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Independent models disagree on lead-free double perovskite PV candidates: testing Wang et al.'s screening through Ouro routes

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Structure

Formula: Ca₂TaFeO₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40
Lattice a, b, c: 7.900 Å7.900 Å7.900 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 493.04 Å³
Density: 5.56 g/cm³

Attribution

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Rock-salt ordered double perovskite Ca2FeTaO6, Fm-3m (225), a=7.9 Å, built with ASE for Wang et al. 2025 PV screening analysis

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Size: 3.19 KB
Type: .cif file
Downloads: 0

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Independent models disagree on lead-free double perovskite PV candidates: testing Wang et al.'s screening through Ouro routes

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Ca2FeTaO6 Fm-3m double perovskite CIF

Overview

Structure

Attribution

Derived

Results

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Included in datasets

Linked from

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Structure

Attribution

Stats

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Included in datasets

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