Table 1 Electronic and superconducting properties of selected ternary phases of La–N–H and La–B–H, plus high-symmetry metastable La–Ga–H structures.

Composition	Space group	P	ΔH	d_H–H	N (E_F)	N_H/N(E_F)	λ	ω_log	T_c^ME
		(GPa)	(meV/atom)	(Å)	(10³spin⁻¹eV⁻¹Å⁻³)			(K)	(K)
La₄N₄H	38	300	0	3.6	16.9	1%	0.24	434	0
La₂N₂H	63	300	0	2.6	4.2	3%	0.15	719	0
LaN₂H₃	66	300	0	1.4	10.3	1%	0.33	966	1
LaN₃H₁₀	1	300	0	0.74	–	–	–		–
LaB₈H	5	300	0	3.7	8.3	4%	0.44	973	8
La₂B₆H₅	8	300	0	1.5	12.0	21%	0.47	998	6
LaBH₈	225	300	0	1.33	7.4	62%	0.53	1731	14
α-LaBH₁₇	23	300	+33	0.95	7.8	63%	3.3	414	180
β-LaBH₁₇	97^a	300	+33	0.96	7.9	64%	2.3^b	759	179
LaH₁₀	225	300	0	1.06–1.14	16.4	62%	1.9	1575	249
LaGaH₆	71	300	+12	1.13	6.0	20%	0.63	845	21
LaGaH₁₄	35	300	+13	0.89–1.17	10.5	52%	1.25	1134	137
LaGaH₁₅	44	300	+11	0.90–1.10	11.7	57%	0.90	1338	95

The first column shows the composition, the second column indicates the space group. The fourth column ΔH indicates the enthalpy difference from the convex hull (0 if the structure is on the hull). d_H–H indicates the average H–H distance in Ångstrom. In the sixth and seventh column the electronic DOS at the Fermi level N(E_F) and its relative hydrogen character are reported. The DOS is shown in units of 10³spin⁻¹eV⁻¹Å⁻³ to allow for comparison between different pressures. The electron-phonon coupling coefficient λ and the average phonon frequency ω_log are defined in the Supplemental Material. The superconducting critical temperature T_c^ME was calculated by solving the isotropic Migdal–Eliashberg equations—for details see the Supplemental Material. ^aThe structure is dynamically unstable near the M point. ^bcutting imaginary frequencies.

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