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"created_at": "2022-09-04T14:35:53.317689Z",
"updated_at": "2022-09-04T14:35:53.317715Z",
"structure_string": "La2 P6 H16 O14\n1.0\n7.102303 -0.027822 -1.002735\n-2.412411 7.041081 -2.686571\n0.015327 0.089645 8.751669\nLa P H O\n2 6 16 14\ndirect\n0.844370 0.684780 0.628707 La\n0.155630 0.315221 0.371293 La\n0.651942 0.311952 0.224579 P\n0.348058 0.688049 0.775421 P\n0.033979 0.189748 0.905131 P\n0.966021 0.810252 0.094869 P\n0.532573 0.286516 0.709030 P\n0.467427 0.713485 0.290970 P\n0.812132 0.209121 0.531626 H\n0.187869 0.790880 0.468374 H\n0.825033 0.000774 0.447881 H\n0.174967 -0.000773 0.552118 H\n0.454772 0.582391 0.130495 H\n0.452774 0.875890 0.261871 H\n0.547226 0.124111 0.738129 H\n0.545228 0.417609 0.869505 H\n0.054878 0.352906 0.866309 H\n0.775054 0.833313 0.088131 H\n0.224946 0.166688 0.911869 H\n0.361957 0.881139 0.832519 H\n0.638044 0.118862 0.167481 H\n0.345786 0.643703 0.919010 H\n0.654215 0.356298 0.080990 H\n0.945122 0.647095 0.133691 H\n0.672789 0.763655 0.402339 O\n0.327212 0.236346 0.597661 O\n0.285128 0.636377 0.349248 O\n0.714872 0.363623 0.650752 O\n0.003965 0.766877 0.921159 O\n-0.003964 0.233124 0.078841 O\n0.468578 0.337537 0.284930 O\n0.880839 0.021749 0.762656 O\n0.531422 0.662464 0.715070 O\n0.150481 0.567329 0.646279 O\n0.849519 0.432672 0.353721 O\n0.129749 0.869285 0.550308 O\n0.119161 0.978252 0.237344 O\n0.870252 0.130716 0.449692 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"La",
"P",
"H",
"O"
],
"chemical_system": "H-La-O-P",
"density": 2.661435425325716,
"density_atomic": 0.08654029165095847,
"volume": 439.1018250003683,
"volume_molar": 6.958771047697646,
"formula_full": "La2 P6 H16 O14",
"formula_reduced": "LaP3H8O7",
"formula_anonymous": "AB3C7D8",
"energy_above_hull": 3.126004526315789,
"spacegroup": 2
}
]
}