Garnet Neural Network
This application uses a deep neural network to predict the stability of garnet crystals, as described in Ye, W.; Chen, C.; Wang, Z.; Chu, I.-H.; Ong, S. P. Deep neural networks for accurate predictions of crystal stability. Nat. Commun. 2018, 9 (1), 3800 DOI: 10.1038/s41467-018-06322-x.
Enter species in the C (24c), A (16a) and D (24d) sites of the prototypical C3A2D3O12 garnet crystal.
- Species allowed on C site:
Bi3+, Hf4+, Zr4+, La3+, Pr3+, Nd3+, Sm3+, Eu3+, Gd3+, Tb3+, Dy3+, Ho3+, Er3+, Tm3+, Yb3+, Lu3+, Y3+ , Cd2+, Zn2+, Ba2+, Sr2+, Ca2+, Mg2+, Na+
- Species allowed on A site:
Rh3+, Ru4+, Cr3+, Sb5+, Ta5+, Nb5+, Sn4+, Ge4+, Hf4+, Zr4+, Ti4+, In3+, Ga3+, Al3+, Lu3+, Yb3+, Tm3+, Er3+, Ho3+, Dy3+, Y 3+ , Sc3+, Zn2+, Mg2+, Li+
- Species allowed on D site:
As5+, P5+, Sn4+, Ge4+, Si4+, Ti4+, Ga3+, Al3+, Li+
- "Ca2+" means only one type of species (Ca2+) is present in the site.
- "Ca2+:2 Mg2+:1" means Ca2+ and Mg2+ are present in the site in the ratio of 2:1.
Only 2:1 mixing is allowed in the C and D sites, and 1:1 mixing is allowed in the A sites.