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Filtering by: Keyword First-principles calculation Rights Statement Sim Creative Commons BY Attribution 4.0 International

Description/Abstract:: These atomic coordinates are examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hc...
Keyword:: Debye model, First-principles calculation, Sommerfeld model, quasi-harmonic vibrational contribution, and titanium alloys
Resource Type:: Dataset
Data origin:: simulations
Author:: SAHARA, Ryoji
Date Uploaded:: 09/10/2020
Date Modified:: 20/10/2020

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