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. 2022 Mar 2;12(12):7002–7008. doi: 10.1039/d2ra00464j

Computed optimized structural properties of TlLF3 (L = Cd, Ca) from the energy vs. volume results fixed by the Birch–Murnaghan technique.

Compounds a 0 (lattice constant in Å) B (bulk modulus in GPa) B′ (derivative of bulk modulus in GPa) V 0 (ground state volume in a.u.3) E 0 (ground state energy in Ry)
TlCdF3 4.33 79.64 3.41 548.13 −52333.15
TlCaF3 4.37 63.74 3.48 563.83 −42509.21