Jun 29

template-CoAgTe2 - relaxed

Name: template-CoAgTe2 - relaxed
Creator: will
Published: 2026-06-29T08:33:27.845178+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via Relax a crystal structure

template-CoAgTe2

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Structure

Formula: CoAgTe₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 7.929 Å7.929 Å5.082 Å
Angles α, β, γ: 89.99°90.00°120.00°
Volume: 276.70 Å³
Density: 7.60 g/cm³

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Welcome to photovoltaics

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Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success

Structure

Formula: CoAgTe₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 7.929 Å7.929 Å5.082 Å
Angles α, β, γ: 89.99°90.00°120.00°
Volume: 276.70 Å³
Density: 7.60 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -47.5888 eV; energy change = -0.2994 eV; symmetry: P-3m1 → P-3m1

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Size: 1.09 KB
Type: .cif file
Downloads: 0

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Connections

3

Referenced by

Welcome to photovoltaics

Included in datasets

Actions

Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success

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Overview

template-CoAgTe2 - relaxed

Overview

Structure

Attribution

Connections

Referenced by

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Referenced by

Included in datasets

Actions

Data

Data