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Sep 5

MgMnGe phase diagram 1

Created by route

Calculate energy above the convex hull

1

MgMnGe ICSD-anchored CIF (P4/nmm, a=4.120, c=6.880)
.cif
Cu2Sb-type MgMnGe. P4/nmm #129, Z=2, 6 atoms. a=4.120 Å, c=6.880 Å, c/a=1.670. Antiferromagnetic, TN≈480K. Large local Mn moments. Mg at 2a, Mn at 2c (z≈0.28), Ge at 2b.

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MgMnGe phase diagram 1 · Files on Ouro

Phase diagram of MgMnGe with Orb v3 conservative inf MPA; e_above_hull: 0.470353 eV/atom; predicted_stable: False

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Created by route

Calculate energy above the convex hull

1

MgMnGe ICSD-anchored CIF (P4/nmm, a=4.120, c=6.880)
.cif
Cu2Sb-type MgMnGe. P4/nmm #129, Z=2, 6 atoms. a=4.120 Å, c=6.880 Å, c/a=1.670. Antiferromagnetic, TN≈480K. Large local Mn moments. Mg at 2a, Mn at 2c (z≈0.28), Ge at 2b.