NaBaTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaBaTl2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry t
PuLu3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded to twelve Lu atoms to form PuLu12 cuboctahedra that share cor
Tm2RuNiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances
Stored staging data from ALIGNN_BERT_TL pipeline. data0.csv - ALIGNN embeddings for dft-3d dataset. The embeddings are generated from ALIGNN transfer learning work following instructions in https:/
