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0.118564 0.750577 Li\n0.898793 0.613936 0.749192 Li\n0.272739 0.137689 0.005087 Ni\n0.334190 0.893883 0.749035 Ni\n0.666809 0.103488 0.249553 Ni\n0.667368 0.603060 0.249014 Ni\n0.410893 0.361665 0.247014 P\n0.415291 0.863502 0.250866 P\n0.590059 0.141398 0.752397 P\n0.583272 0.641468 0.749510 P\n0.037574 0.349716 0.757952 C\n0.040660 0.851267 0.751669 C\n0.960935 0.147805 0.246064 C\n0.960250 0.648779 0.249827 C\n0.072427 0.472281 0.750232 O\n0.110031 0.180700 0.240202 O\n0.077493 0.976137 0.751527 O\n0.151403 0.249176 0.768725 O\n0.108368 0.677729 0.249994 O\n0.158349 0.756548 0.752650 O\n0.307442 0.410834 0.057749 O\n0.309593 0.403675 0.439958 O\n0.309551 0.923219 0.062447 O\n0.309055 0.914606 0.437466 O\n0.419102 0.087052 0.756815 O\n0.434083 0.199674 0.235521 O\n0.418128 0.587843 0.748365 O\n0.436408 0.706538 0.242421 O\n0.568573 0.296633 0.751626 O\n0.580542 0.412078 0.250048 O\n0.563822 0.800560 0.750161 O\n0.582778 0.916401 0.250991 O\n0.695438 0.084751 0.938612 O\n0.686560 0.083630 0.561990 O\n0.690240 0.590854 0.562043 O\n0.691385 0.589465 0.937010 O\n0.845496 0.242710 0.252469 O\n0.889398 0.318341 0.750285 O\n0.843720 0.745162 0.249277 O\n0.927646 0.023425 0.248968 O\n0.893601 0.820865 0.749934 O\n0.922139 0.524836 0.250469 O\n","nsites":52,"nelements":5,"elements":["Li","Ni","P","C","O"],"chemical_system":"C-Li-Ni-O-P","density":2.956897373138453,"density_atomic":0.09871743018707863,"volume":526.7560136184178,"volume_molar":6.1003824234357475,"formula_full":"Li12 Ni4 P4 C4 O28","formula_reduced":"Li3NiPCO7","formula_anonymous":"ABCD3E7","energy":-361.44614052,"energy_per_atom":-6.950887317692307,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-332.04614052,"band_gap":2.9358000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0004197,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.553000Z","spacegroup":1}]}