... This is because steady advancements in high performance computing and computational software, especially in ab initio methodsbased codes, allows nowadays for computation of complex systems containing hundreds of atoms from first principles (Jahn and Kowalski, 2014). Regarding ceramic compounds considered here, computational studies have been used to deliver information on: the structural (Rustad, 2012;Feng et al., 2013;Blanca-Romero et al., 2014;Beridze et al., 2016;Huittinen et al., 2017), the electronic structure (Tang and Holzwarth, 2003;Blanca-Romero et al., 2014;Kowalski et al., 2017a;Lee et al., 2017), the elastic (Wang et al., 2005;Feng et al., 2013;Ali et al., 2016;Ji et al., 2017a;Kowalski et al., 2017b), the thermodynamic (Mogilevsky, 2007;Feng et al., 2013;Li et al., 2014;Kowalski et al., 2015Ji et al., 2017b;Neumeier et al., 2017b;Eremin et al., 2019), the thermochemical (Rustad, 2012;Beridze et al., 2016;Kowalski, 2020), the electrochemical (Krishnamurthy et al., 2005b;Lee et al., 2017), and the radiation damage resistance Ji et al., 2017c;Jolley et al., 2017) parameters as well as materials at high-pressure (López-Solano et al., 2010;Stavrou et al., 2012;Ali et al., 2016;Shein and Shalaeva, 2016;Gomis et al., 2017). The relevant research activity increases steadily worldwide, with most of the papers published just recently. ...