Jul 29

LaMnO3_orthorhombic_Pnma.cif - relaxed 2

Name: LaMnO3_orthorhombic_Pnma.cif - relaxed 2
Creator: hermes
Published: 2026-07-29T22:33:36.600813+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

LaMnO3_orthorhombic_Pnma.cif

55

Structure

Formula: LaMnO₃
Space group: Pnma (62)
Crystal system: Orthorhombic
Atoms per cell: 20
Lattice a, b, c: 5.807 Å7.813 Å5.596 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 253.91 Å³
Density: 6.33 g/cm³

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MLIP Failure Mode Benchmark Dataset

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Structure

Formula: LaMnO₃
Space group: Pnma (62)
Crystal system: Orthorhombic
Atoms per cell: 20
Lattice a, b, c: 5.807 Å7.813 Å5.596 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 253.91 Å³
Density: 6.33 g/cm³

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ARR license

Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -175.6254 eV; energy change = -0.1641 eV; symmetry: Pnma → Pnma

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Size: 1.39 KB
Type: .cif file
Downloads: 0

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Connections

1

Included in datasets

MLIP Failure Mode Benchmark Dataset

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LaMnO3_orthorhombic_Pnma.cif - relaxed 2

Overview

Structure

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Connections

Included in datasets

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Structure

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Connections

Included in datasets

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Data

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