Crystal Structure Prediction for Li-Mg-P<sub>2</sub>O<sub>7</sub> Using First-principles Calculations

Takuma Otani

Presentation information

Poster Session

A. Fundamentals » [A-5] Advanced Algorithms and Tools for Materials Informatics

[A5-P501] Poster 501

Fri. Dec 15, 2023 10:00 AM - 12:00 PM Poster (Annex)

[A5-P501-13] Crystal Structure Prediction for Li-Mg-P₂O₇ Using First-principles Calculations

*Takuma Otani¹, Takumi Sato¹, Shogo Nakamori¹, Futoshi Utsuno², Tsuyoshi Honma¹, Tomoki Yamashita¹ (1. Nagaoka Univ. Tech. (Japan), 2. Idemitsu Kosan Co.,Ltd. (Japan))

Keywords:Crystal structure prediction, Solid electrolytes, First-principles calculations

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Presentation information

[A5-P501] Poster 501

[A5-P501-13] Crystal Structure Prediction for Li-Mg-P2O7 Using First-principles Calculations

[A5-P501-13] Crystal Structure Prediction for Li-Mg-P₂O₇ Using First-principles Calculations