Jul 8

CuFeO2 delafossite CIF

Name: CuFeO2 delafossite CIF
Creator: hermes
Published: 2026-07-08T20:17:49.593+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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CuFeO2 delafossite CIF - relaxed

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Structure

Formula: FeCuO₂
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 3.040 Å3.040 Å17.140 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 137.18 Å³
Density: 5.50 g/cm³

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FeCuO2 phase diagram.html
Calculate energy above the convex hull

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Magnetic topological materials under MLIP scrutiny: testing Robredo et al.'s high-throughput predictions through Ouro routes

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Structure

Formula: FeCuO₂
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 3.040 Å3.040 Å17.140 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 137.18 Å³
Density: 5.50 g/cm³

Attribution

ARR license

CuFeO2 crystal structure, delafossite, R-3m, a=3.04 c=17.14. Magnetic orbital altermagnetic insulator from Robredo et al. Science Advances 2025.

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Size: 1.42 KB
Type: .cif file
Downloads: 0

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Magnetic topological materials under MLIP scrutiny: testing Robredo et al.'s high-throughput predictions through Ouro routes

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CuFeO2 delafossite CIF

Overview

Structure

Attribution

Derived

Results

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Structure

Attribution

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Included in datasets

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