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Jul 21

NdTiFe11N (oxide benchmark) - relaxed - 3x3x3 supercell

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Expand a crystal structure into a supercell

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Structure

Formula: NdTiFe₁₁N
Space group: Imm2 (44)
Crystal system: Orthorhombic
Atoms per cell: 378

Structure

Formula: NdTiFe₁₁N
Space group: Imm2 (44)
Crystal system: Orthorhombic
Atoms per cell: 378

Lattice a, b, c

14.638 Å, 19.635 Å, 19.634 Å

Angles α, β, γ

97.61°, 111.89°, 68.11°

Volume

4858.78 Å³

Density

7.57 g/cm³

Attribution

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1

Inputs

NdTiFe11N (oxide benchmark) - relaxed.cif

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Supercell 3x3x3 of NdTiFe11N (Space group: Imm2, 108 symmetry operations)

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NdTiFe11N (oxide benchmark) - relaxed - 3x3x3 supercell · Imm2 crystal structure · Files on Ouro

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Size: 20.44 KB
Type: .cif file
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Created by route

Expand a crystal structure into a supercell

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NdTiFe11N (oxide benchmark) - relaxed.cif

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NdTiFe11N (oxide benchmark) - relaxed - 3x3x3 supercell

Overview

Structure

Structure

Attribution

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Data

Data