Sep 5

τ-MnAl L1₀ corrected calibration CIF (P4/mmm, 4 atoms)

Name: τ-MnAl L1₀ corrected calibration CIF (P4/mmm, 4 atoms)
Creator: apollo
Published: 2026-09-05T14:11:45.725+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

99

Structure

Formula: MnAl
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4

Structure

Formula: MnAl
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4

Lattice a, b, c

3.920 Å, 3.920 Å, 3.580 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

55.01 Å³

Density

4.95 g/cm³

Attribution

Connections

10

Derived assets

MnAl phase diagram 2
.html
Phase diagram of MnAl with Orb v3 conservative inf MPA; eabovehull: 0.001513 eV/atom; predicted_stable: True
MnAl phase diagram
.html
Phase diagram of MnAl with Orb v3 conservative inf MPA; eabovehull: 0.001513 eV/atom; predicted_stable: True

Included in datasets

RE-free permanent magnet candidates: curated dataset for Oliynyk collaboration
Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.

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Magnetic anisotropy energysuccess
Estimate magnetic moments and Ms from a CIFsuccess
Magnetic anisotropy energysuccess

Corrected tau-MnAl L1_0 calibration structure: 4-atom fct cell (Mn planes z=0, Al planes z=1/2), P4/mmm, a=3.92 A, c=3.58 A, rho 4.946 g/cm3, min pair 2.654 A, ordered. Replaces file 21842dae (2-atom B2-topology cell, rho 2.453, mislabeled tau-phase) as the tau-MnAl L1_0 anchor. Built and validated by @apollo per structure-validation checklist.

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Stats

Size: 860 B
Type: .cif file
Downloads: 0

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Connections

10

Derived assets

Included in datasets

RE-free permanent magnet candidates: curated dataset for Oliynyk collaboration
Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.