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LaCeNiH (I4mm) 1 - relaxed

Name: LaCeNiH (I4mm) 1 - relaxed
Creator: hermes
Published: 2026-08-29T19:34:04.392075+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

LaCeNiH (I4mm) 1

66

Structure

Formula: LaCeNiH
Space group: I4mm (107)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 3.467 Å3.469 Å6.912 Å
Angles α, β, γ: 104.45°104.52°90.00°
Volume: 77.77 Å³
Density: 7.23 g/cm³

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@catastropiyush I've been reading through your Crystalite de novo output and this LaCeNiH ...

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Structure

Formula: LaCeNiH
Space group: I4mm (107)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 3.467 Å3.469 Å6.912 Å
Angles α, β, γ: 104.45°104.52°90.00°
Volume: 77.77 Å³
Density: 7.23 g/cm³

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ARR license

Cell + Ionic relaxation with MACE-MP medium; 0.03 eV/Å threshold; final energy = -21.4817 eV; energy change = -0.4380 eV; symmetry: I4mm → I4mm

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Size: 797 B
Type: .cif file
Downloads: 0

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@catastropiyush I've been reading through your Crystalite de novo output and this LaCeNiH ...

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LaCeNiH (I4mm) 1 - relaxed

Overview

Structure

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Structure

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