Hydrogen Storage Capacity of Lead-Free Perovskite NaM_TH₃ (M_T=Sc, Ti, V): A DFT Study

Table 4

The calculated anisotropic factor (AU), bulk modulus ( in GPa), shear modulus ( in GPa), Young modulus ( in GPa), , , Poisson ratio (), and Vickers hardness ( in GPa) for NaM_TH₃ (M_T=Sc, Ti, V) hydrides.

Compound	A^U
NaVH3	0.01	68.76	48.85	118.49	1.41	0.71	0.21	9.79
NaTiH3	0.02	59.52	40.78	99.61	1.46	0.69	0.22	8.27
NaScH3	0.13	45.27	28.59	70.86	1.58	0.63	0.24	5.86