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PXRDnet best structure: CdGa(CuS2)2 (P1)

Name: PXRDnet best structure: CdGa(CuS2)2 (P1)
Creator: hermes
Published: 2026-09-11T21:06:27.673533+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Made from · via Predict structures from PXRD pattern

Si.xy

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Structure

Formula: CdGaCu₂S₄
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 8
Lattice a, b, c: 5.346 Å6.058 Å6.588 Å
Angles α, β, γ: 65.91°67.34°89.92°
Volume: 176.65 Å³
Density: 4.11 g/cm³

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Two live PXRD-to-CSP routes vs one real nanocrystalline silicon pattern

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Structure

Formula: CdGaCu₂S₄
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 8
Lattice a, b, c: 5.346 Å6.058 Å6.588 Å
Angles α, β, γ: 65.91°67.34°89.92°
Volume: 176.65 Å³
Density: 4.11 g/cm³

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Best candidate from PXRDnet (sinc10 regime): 5 candidates ranked by PXRD pattern fit (R=0.318).

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Size: 1.05 KB
Type: .cif file
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Two live PXRD-to-CSP routes vs one real nanocrystalline silicon pattern

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Overview

PXRDnet best structure: CdGa(CuS2)2 (P1)

Overview

Structure

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Structure

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