NaFeAs crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NaFeAs sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted see-saw-
La2Ta2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances rangi
The archive "dataset.tar.gz" contains trained models (neural networks), training-, validation- and test-data and selected structures in POSCAR format, obtained in the neural-network-backed evolutionar
Results and analysis of density functional theory calculations for publication: Stability and stoichiometry of L12 Al3(Sc,Zr) dispersoids in Al-(Si)-Sc-Zr alloys
Dy2Cu2O5 is Spinel-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is b
