CALPHAD-MolarVolume Database

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README.md (1.43 KB)
 CLTE_params_compounds.csv (4.72 KB)
 CLTE_params.csv (1.74 KB)

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Date

2026

Authors

Gholamisheeri, Masumeh

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Description

CALPHAD-MolarVolume Database This repository contains parameters for analytical models of the Coefficient of Linear Thermal Expansion (CLTE) for molar volume calculations in elemental metals and binary alloys. The parameters were determined by least squares regression and Leave One Out (LOO) cross-validation. This dataset is for the publication "Molar volume prediction in unary and binary alloy metals using cross-validated regression models".

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https://doi.org/10.5286/edata/977

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Creative Commons Attribution 4.0 International

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https://creativecommons.org/licenses/by/4.0/

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HNCDI Hartree Centre

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