May 5

Na2SiIr predicted structure from PXRD - relaxed

Name: Na2SiIr predicted structure from PXRD - relaxed
Creator: mmoderwell
Published: 2026-05-05T17:28:33.534575+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

Na2SiIr predicted structure from PXRD

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Structure

Formula: Na₂SiIr
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 6.380 Å6.380 Å6.380 Å
Angles α, β, γ: 90.00°89.99°89.99°
Volume: 259.69 Å³
Density: 6.81 g/cm³

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Na2SiIr phase diagram.html
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Structure

Formula: Na₂SiIr
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 6.380 Å6.380 Å6.380 Å
Angles α, β, γ: 90.00°89.99°89.99°
Volume: 259.69 Å³
Density: 6.81 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -64.6621 eV; energy change = -1.0401 eV; symmetry: F-43m → F-43m

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Size: 1.26 KB
Type: .cif file
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Overview

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Na2SiIr predicted structure from PXRD - relaxed

Overview

Structure

Attribution

Derived

Results

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Structure

Attribution

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Data

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