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Sep 13

H14 MnAl L1_0 P4/mmm mp-771 CIF - phonon dispersion

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Attribution

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

H14 MnAl L1_0 P4/mmm mp-771 CIF - phonon dispersion · Files on Ouro

H14 MnAl L1_0 P4/mmm mp-771 CIF - phonon dispersion

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Calculate phonon dispersion and band structure

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H14 MnAl L1_0 P4/mmm mp-771 CIF
.cif
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.

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