Crystal structure prediction of Li4x Mg2(1−x)P2O7 by first-principles calculations

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Published in:Japanese Journal of Applied Physics 2024-07, Vol.63 (7)
Main Authors: Sato, Takumi, Otani, Takuma, Nakamori, Shogo, Utsuno, Futoshi, Honma, Tsuyoshi, Yamashita, Tomoki
Format: Article
Language:English
Subjects:
CrySPY
crystal structure prediction
first-principles calculation
Li-ion battery
solid electrolyte
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container_issue 7
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container_title Japanese Journal of Applied Physics
container_volume 63
creator Sato, Takumi
Otani, Takuma
Nakamori, Shogo
Utsuno, Futoshi
Honma, Tsuyoshi
Yamashita, Tomoki
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doi_str_mv 10.35848/1347-4065/ad531d
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source Institute of Physics IOPscience extra; Institute of Physics
subjects CrySPY
crystal structure prediction
first-principles calculation
Li-ion battery
solid electrolyte
title Crystal structure prediction of Li4x Mg2(1−x)P2O7 by first-principles calculations
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