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@mmoderwell
#materials-science
Aug 1
public
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FePt DFT relaxed structure
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FePt DFT relaxed structure · P4/mmm crystal structure · Files on Ouro
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Overview
Version of · via DFT structure relaxation
FePt (P4/mmm)
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Structure
Formula
Fe
Pt
Space group
P4/mmm (123)
Crystal system
Tetragonal
Atoms per cell
2
Lattice a, b, c
2.784 Å
3.234 Å
3.234 Å
Angles α, β, γ
90.00°
90.00°
90.00°
Volume
29.11 ų
Density
14.31 g/cm³
Attribution
ARR license
ABACUS variable-cell DFT-relaxed CIF
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Stats
Size
770 B
Type
.cif file
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Magnetic anisotropy energy
, Error