We use the first-principles calculation based on density functional theory (DFT) to investigate the hydrogen storage on Li12F12 nano-cage. Our result indicates the largest hydrogen gravimetric density is 7.14 wt% and this is higher than the 2017 target from the US department of energy (DOE). Meanwhile, the average adsorption energy is -0.161 eV/H-2, which is desirable for absorbing and desorbing H-2 molecules at near ambient conditions. These findings will have important implications on designing hydrogen storage materials in the future. (C) 2017 Elsevier B.V. All rights reserved.