Sep 13

H14 MnAl L1_0 P4/mmm mp-771 CIF

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Overview

1111

Structure

Formula: MnAl
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2

Structure

Formula: MnAl
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2

Lattice a, b, c

2.749 Å, 2.749 Å, 3.496 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

26.41 Å³

Density

5.15 g/cm³

Attribution

Connections

3

Derived assets

MnAl (P4/mmm) - DFT relaxed
.cif
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -3025.7145 eV; energy change = -0.0545 eV
H14 MnAl L1_0 P4/mmm mp-771 CIF - phonon dispersion
Image
Phonon band structure with Orb v3 conservative inf MPA (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz

Included in datasets

Rare-earth-free magnet candidates
Single source of truth for the rare-earth-free permanent magnet discovery program (quest 01a06c81). One row per (candidate, attempt). Schema follows skills/discovery-loop.md: property columns carry values only with action receipts in actionids; stage/status enums gate tier-2 spend; ciffileid is a file-asset reference. Excluded elements: La through Lu, Sc, Y. Row hypothesisid='schema-v1' is a schema probe, not a candidate.

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Recent runs

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H14 (Mn-Al binary) known-compound anchor: tau-MnAl L1_0 (P4/mmm #123), 2 atoms, MP mp-771, on hull. Exploration action 01a09aa9-9704-7d9d-8fbc-edaf80276a43. Validated 2026-09-13: parses, ordered, min dist 2.614 A, SG 123, rho 5.15 g/cm3. Calibration finding only, not a discovery claim.

ARR license

11

Stats

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

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