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"structure_string": "Rb2 Ti2 Br6\n1.0\n3.788598 -6.562044 0.000000\n3.788598 6.562044 -0.000000\n0.000000 0.000000 5.872506\nRb Ti Br\n2 2 6\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750001 Rb\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.830682 0.661364 0.250000 Br\n0.661364 0.830682 0.750001 Br\n0.338636 0.169318 0.250000 Br\n0.169318 0.338636 0.750001 Br\n0.830682 0.169319 0.250000 Br\n0.169319 0.830682 0.750001 Br\n",
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"created_at": "2022-09-04T14:36:03.990876Z",
"updated_at": "2022-09-04T14:36:03.990898Z",
"structure_string": "Li4 Fe2 P4 O14\n1.0\n0.000000 -0.000000 7.095755\n6.528023 -3.150699 3.547877\n6.528023 3.150699 -3.547877\nLi Fe P O\n4 2 4 14\ndirect\n0.000000 0.225495 0.225495 Li\n0.500000 0.274505 0.274505 Li\n-0.000000 0.774505 0.774505 Li\n0.500000 0.725495 0.725495 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.564023 0.639740 0.139740 P\n0.435978 0.139740 0.639740 P\n0.564023 0.860260 0.360260 P\n0.435978 0.360260 0.860260 P\n0.711662 0.942939 0.442939 O\n0.288339 0.442939 0.942939 O\n0.637858 0.661200 0.562216 O\n0.362142 0.562216 0.661200 O\n0.329912 0.250000 0.750000 O\n0.670089 0.750000 0.250000 O\n0.763158 0.161200 0.062216 O\n0.637858 0.437784 0.338799 O\n0.711662 0.557061 0.057061 O\n0.288339 0.057061 0.557061 O\n0.236842 0.838799 0.937783 O\n0.236842 0.062216 0.161201 O\n0.362142 0.338799 0.437784 O\n0.763158 0.937783 0.838799 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.7724551885301603,
"density_atomic": 0.08222313720184055,
"volume": 291.88864371697514,
"volume_molar": 7.324143744621308,
"formula_full": "Li4 Fe2 P4 O14",
"formula_reduced": "Li2FeP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.6308875833333336,
"spacegroup": 74
}
]
}