HIGHLIGHTS
- who: Jonathan Schmidt from the (UNIVERSITY) have published the paper: Machine learning guided high-throughput search of non-oxide garnets, in the Journal: (JOURNAL)
- how: The authors applied crystal graph attention networks developed and pre-trained in ref 22 to predict thermodynamically stable materials.
SUMMARY
Generally, the garnets crystallize in a cubic structure (space group Ia3d) with chemical composition A3B2(B`C4)3, where the A atoms are located in the 24c dodecahedral sites, the B atoms are in the 16a octahedral, and B` atoms occupy the 24d tetrahedral sites. In . . .
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