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Li\n0.478501 0.630465 0.592436 Li\n0.812878 0.964483 0.259375 Li\n0.166460 0.660003 0.338071 V\n0.499193 0.006068 0.996474 V\n0.833683 0.338418 0.662573 V\n0.999827 0.999480 0.000833 Fe\n0.333259 0.333163 0.666941 Fe\n0.666414 0.662492 0.334066 Fe\n0.042723 0.266024 0.406512 P\n0.291750 0.066555 0.256316 P\n0.374486 0.599947 0.077769 P\n0.623907 0.398989 0.926501 P\n0.708496 0.938518 0.742789 P\n0.957357 0.732785 0.594693 P\n0.096145 0.744668 0.902661 H\n0.231413 0.564308 0.782930 H\n0.435320 0.102397 0.551175 H\n0.569610 0.920365 0.431959 H\n0.770289 0.427095 0.218720 H\n0.903835 0.255157 0.099114 H\n0.058160 0.130959 0.232764 O\n0.073261 0.181528 0.688159 O\n0.062201 0.686084 0.587095 O\n0.101556 0.453245 0.270990 O\n0.265371 0.144542 0.966935 O\n0.110522 0.825748 0.020533 O\n0.230895 0.506960 0.631808 O\n0.274862 0.204239 0.429548 O\n0.395673 0.015303 0.258082 O\n0.228401 0.888281 0.400518 O\n0.270810 0.651253 0.076126 O\n0.391832 0.462937 0.903622 O\n0.435428 0.159495 0.702526 O\n0.401286 0.521820 0.366703 O\n0.438183 0.778436 0.933661 O\n0.564632 0.212991 0.063634 O\n0.592608 0.484750 0.645879 O\n0.555555 0.839336 0.313678 O\n0.609623 0.536475 0.097173 O\n0.728012 0.350045 0.917198 O\n0.771470 0.115810 0.593715 O\n0.603716 0.984231 0.740347 O\n0.725532 0.799109 0.571937 O\n0.772571 0.487867 0.366060 O\n0.889472 0.173444 0.982113 O\n0.734644 0.864063 0.031054 O\n0.898439 0.546429 0.730037 O\n0.938212 0.312454 0.414402 O\n0.926879 0.817576 0.312782 O\n0.942037 0.868763 0.767208 O\n","nsites":51,"nelements":6,"elements":["Li","V","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P-V","density":3.148967993794884,"density_atomic":0.09546769219409844,"volume":534.2121384510925,"volume_molar":6.308040575398211,"formula_full":"Li3 V3 Fe3 P6 H6 O30","formula_reduced":"LiVFeP2(HO5)2","formula_anonymous":"ABCD2E2F10","energy":-376.75632026,"energy_per_atom":-7.387378828627451,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-344.27832026,"band_gap":1.5067,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0006174,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.947000Z","spacegroup":1}]}