The discovery of energetically favourable inorganic crystals is of fundamental scientific and technological interest in solid-state chemistry. Experimental approaches over the decades have catalogued ...

In data-driven materials design where the target materials have limited data, the transfer machine learning from large known source materials, becomes a demanding strategy especially across different ...

The HS-I, CS-I, and CS-II structures of hydrate correspond to the Z, A15, and C15 phases of the Frank-Kasper phase, respectively. With the discovery of HS-I, the primitive structures at the three ...