Table 3.

The calculated elastic constants C_ij (GPa) and Cauchy pressure C₁₂–C₄₄ (GPa) of ACaCl₃ (A = Cs, Tl) under various hydrostatic pressures.

Pressure (GPa)	Compound	C11	C12	C44	C12–C44	Remarks
0	CsCaCl3	50.69	10.59	10.24	0.35	This work
	TlCaCl3	54.46	10.45	7.28	3.17
0	CsCaCl3	56.90 57.82	9.69 8.12	10.23 8.01	−0.54 0.11	Ref. [63] Ref. [34]
	TlCaCl3	58.14	8.98	7.11	1.87	Ref. [64]
20	CsCaCl3	210.42 147.78	46.35 42.34	18.48 17.46	27.87 24.88	This work Ref. [34]
	TlCaCl3	216.26	44.26	9.19	35.08	This work
40	CsCaCl3	347.01 230.23	79.13 57.34	25.06 20.27	54.07 36.06	This work Ref. [34]
	TlCaCl3	353.70	75.81	10.05	65.76	This work
60	CsCaCl3	473.41	110.93	31.05	79.88	This work
	TlCaCl3	480.53	106.61	10.29	96.32
80	CsCaCl3	592.69	141.96	36.64	105.32	This work
	TlCaCl3	599.17	136.74	9.98	126.76
100	CsCaCl3	706.51 508.83	172.82 111.95	42.90 37.66	129.92 74.29	This work Ref. [34]
	TlCaCl3	711.86	166.76	9.11	157.65	This work