TY  - GEN
A1  - Bustamante, Joana
A1  - Naik, Aakash
A1  - Ueltzen, Katharina
A1  - Ertural, Christina
A1  - George, Janine
T1  - Thermal Transport in Ag8TS6 (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study.
N2  - This repository includes raw data for bonding analysis and lattice thermal conductivity using MLIP-MACE-MP03b, supporting the manuscript “Thermal Transport in Ag<sub>8</sub>TS<sub>6</sub> (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study”
KW  - DFT
KW  - LOBSTER
KW  - Lattice thermal conductivity
KW  - MLIP
PY  - 2025
DO  - https://doi.org/10.5281/zenodo.17397456
PB  - Zenodo
CY  - Geneva
AN  - OPUS4-64674
LA  - eng
AD  - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER  -