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Thermal Transport in Ag8TS6 (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study. DFT-part

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Zenodo2025-10-23 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.17399975
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资源简介:
Raw data for DFT vibrational properties and elastic properties computational supporting the manuscript titled “Thermal Transport in Ag8TS6 (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study”
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2025-10-23
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