Quantum and temperature effects on the crystal structure of superhydride <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>LaH</mml:mi><mml:mn>10</mml:mn></mml:msub></mml:math> : A path integral molecular dynamics study

By classical and path-integral molecular dynamics simulations, we study the pressure-temperature ($P$-$T$) phase diagram of LaH$_{10}$ to clarify impact temperature atomic zero-point motions. We calculate XRD pattern analyze space group crystal structures. For 125 GPa $\leq P\leq$ 150 $T=300$ K, show that a highly symmetric $Fm\bar{3}m$ structure, for which superconductivity is particularly favored, stabilized only by effect. On other hand, $T=200$ interplay between quantum effects crucial realize structure. $P=$100 $T=$300 find system close critical point structural transition structure those with lower symmetries.