Since the structural clarification for the fundamental component is
provided, the conformational stability of the material is figured out
through formation energy. The equation necessary to compute the
formation energy is given underneath [42, 43].
\begin{equation}
E_{\text{Form}}=(1/s)[E\left(Kagome-PNT\right)-sE\left(P\right)]\nonumber \\
\end{equation}The factors handled in the calculating formation equation
(EForm) are the energy of the fundamental component –E(Kagome-PNT), procurable number of phosphorus (P) atoms in the
fundamental component – ‘s ’ and energy of a single P atom –E(P). By wielding the aforementioned parameters, the formation
energy is assessed to be -3.883 eV per atom. The non-positive measure ofEForm verifies the conformational stability of
the fundamental component. This is ascribed to the complex conformation
of Kagome-PNT that follows the local co-ordination of α-P and global
symmetry of β-P form [44]. In addition, to verify the dynamical
stability of chief component Kagome-PNT, phonon-bands-spectrum is
plotted as shown in Fig. 2. It is revealed that there is no
imaginary-frequency noticed in the phonon spectrum, confirming the
dynamical-stability of Kagome-PNT.