Seven novel bismuth(III)-halide phases, Bi2Cl6(terpy)2·0.5(H2O) (1), Bi2Cl4(terpy)2(k2-TC)2(2) (TC = 2-thiophene monocarboxylate), BiCl(terpy)(k2-TC)2 (3A-Cl), BiBr(terpy)(k2-TC)2 (3A-Br), (3B-Cl), [BiCl(terpy)(k2-TC)2][Bi(terpy)(k2-TC)3]·0.55(TCA) (4), [BiBr3(terpy)(MeOH)] (5), and [BiBr2(terpy)(k2-TC)][BiBr1.16(terpy)(k2-TC)1.84] (6), were prepared under mild synthetic conditions from methano...

Abstract Graph neural networks (GNN) have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models. While most existing GNN models predictions are based on atomic distance information, they do not explicitly incorporate bond angles, which critical distinguishing many structures. Furthermo...