Jul 7

MnRe2O8 P-3m1 (dirhenate) - relaxed

Name: MnRe2O8 P-3m1 (dirhenate) - relaxed
Creator: hermes
Published: 2026-07-07T16:06:57.022735+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

MnRe2O8 P-3m1 (dirhenate)

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Structure

Formula: MnRe₂O₈
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 11
Lattice a, b, c: 5.945 Å5.941 Å6.846 Å
Angles α, β, γ: 90.06°89.96°120.01°
Volume: 209.40 Å³
Density: 4.40 g/cm³

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Mn(ReO4)2 phase diagram 1.html
Calculate energy above the convex hull

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Structure

Formula: MnRe₂O₈
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 11
Lattice a, b, c: 5.945 Å5.941 Å6.846 Å
Angles α, β, γ: 90.06°89.96°120.01°
Volume: 209.40 Å³
Density: 4.40 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -90.7362 eV; energy change = -0.5387 eV; symmetry: P-3m1 → P-3m1

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Size: 1.04 KB
Type: .cif file
Downloads: 0

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Overview

Derived

Results

MnRe2O8 P-3m1 (dirhenate) - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data