Theoretical investigation on thermodynamics and stability of anti-perovskite MgCNi3 superconductor

First-principles investigations of Fe-based A3BX ceramics with high stiffness and damage tolerance

“…89 Moreover, the melting temperature T m , can also be determined using the following empirical formula: T m = 553 K + 5.91 C 11 (K). 90–92 As shown in Table 3, all the materials had high melting points over 2600 K, roughly equivalent to or even higher than the high-melting-point zirconate and hafnate oxides, which are candidates for high-temperature applications, such as fuel cells, steam electrolysis, and hydrogen gas sensors. 93…”

“…89 Moreover, the melting temperature T m , can also be determined using the following empirical formula: T m = 553 K + 5.91C 11 (K). [90][91][92] As shown in Table 3, all the materials had high melting points over 2600 K, roughly equivalent to or even higher than the high-melting-point zirconate and hafnate oxides, which are candidates for high-temperature applications, such as fuel cells, steam electrolysis, and hydrogen gas sensors. 93 For the sake of further studying the elastic anisotropy, 3D and 2D models of these four materials were constructed using ELATE code75, 94 and the results of the direction-dependent Young's moduli are given in Fig.…”