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gen_7 MnAlC - relaxed

Name: gen_7 MnAlC - relaxed
Creator: mmoderwell
Published: 2025-07-28T14:05:41.002591+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via Relax a crystal structure

gen_7 MnAlC

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Structure

Formula: MnAlC
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 12
Lattice a, b, c: 4.942 Å4.942 Å4.942 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 120.71 Å³
Density: 5.17 g/cm³

Attribution

Derived

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Results

1

MnAlC phase diagram.html
Calculate energy above the convex hull

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Structure

Formula: MnAlC
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 12
Lattice a, b, c: 4.942 Å4.942 Å4.942 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 120.71 Å³
Density: 5.17 g/cm³

Properties

Saturation magnetization

0.20 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -84.3190 eV; energy change = 0.0000 eV; symmetry: F-43m → F-43m

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Stats

Size: 2.91 KB
Type: .cif file
Downloads: 1

Properties

Saturation magnetization

0.20 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

DataData

Overview

Derived

Results

gen_7 MnAlC - relaxed

Overview

Structure

Attribution

Derived

Results

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Actions

Data

Data