Novel stable structure of Li3PS4 predicted by evolutionary algorithm under high-pressure
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DOI: 10.1063/1.5011401
Abstract: By combining theoretical predictions and in-situ X-ray diffraction under high pressure, we found a novel stable crystal structure of Li3PS4 under high pressures. At ambient pressure, Li3PS4 shows successive structural transitions from γ-type to β-type… read more here.
Keywords: evolutionary algorithm; novel stable; high pressure; structure li3ps4 ... See more keywords