An ab-initio probe to predict the stability of SrLa, Sr2La and Sr3La intermetallic alloys with the aid of high pressures

Scanning the latent phases and superconductivity in the Nb–Pb system at high pressure

“…Fortunately, in recent years, several advanced crystal structure prediction (CSP) methods, such as CALYPSO and USPEX, have emerged. [23][24][25][26][27][28] Of these methods, the multi-method software USPEX, which is mainly based on evolutionary algorithms, has made significant breakthroughs in predicting novel crystals under external pressure. [28][29][30] USPEX has been instrumental in predicting novel materials with unexpected stable stoichiometries, as demonstrated by the experimental verification of sodium chloride using a diamond anvil cell under extreme high pressure.…”

“…Fortunately, in recent years, several advanced crystal structure prediction (CSP) methods, such as CALYPSO and USPEX, have emerged. 23–28 Of these methods, the multi-method software USPEX, which is mainly based on evolutionary algorithms, has made significant breakthroughs in predicting novel crystals under external pressure. 28–30…”