rhomboheral crystal structure, the first principle calculation found that Li2IrO3 embedded potential is 3.2 ~ 4.1V, pure phase band gap is about 1eV, with semiconductor characteristics, lithium ion diffusion in rock salt layered structure is generally two-dimensional, but Li2IrO3 is Three-dimensional diffusion, with a migration energy load of 0.24 ~ 0.81eV, a capacity of 135mA · h / g in the range of 3.0 ~ 4.4V, and a capacity of 100mA · h / g in the range of 3.0 ~ 4.2V; in Li2-XIrO3, the voltage at 0 <x <0.75 It is 3.5V, 1.25 <x <1.5 is 4.0V, and new phases are generated when x = 1.0 and 1.5.

     Charge and discharge curves at different voltages and upper limits, the capacity of the platform at 3.5V is close to 80mA · h / g, the voltage platform is very flat, the hysteresis between the charge and discharge curves is small, the reversibility is high, and the capacity Small, not suitable for classic applications, but may be used in the field of micro batteries.

     There is still debate about the fine structure of the material. It is also considered to be a quasi-hexagonal structure with unit cell parameters of a = 0.5169nm and c = 1.1164nm.