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"id": "mp-555743",
"created_at": "2022-09-04T14:42:23.920676Z",
"structure_string": "Li16 Zn16 P16 O64\n1.0\n4.943647 8.755470 0.000000\n-4.943647 8.755470 0.000000\n0.000000 2.521746 16.219151\nLi Zn P O\n16 16 16 64\ndirect\n0.859793 0.686812 0.498665 Li\n0.800433 0.187214 0.497213 Li\n0.919172 0.240340 0.746892 Li\n0.431166 0.796192 0.747578 Li\n0.298402 0.188693 0.496572 Li\n0.188693 0.298402 0.996572 Li\n0.423291 0.298060 0.747258 Li\n0.298060 0.423291 0.247258 Li\n0.796192 0.431166 0.247578 Li\n0.187214 0.800433 0.997213 Li\n0.686812 0.859793 0.998665 Li\n0.740054 0.925723 0.248489 Li\n0.240340 0.919172 0.246892 Li\n0.687334 0.360616 0.997439 Li\n0.360616 0.687334 0.497439 Li\n0.925723 0.740054 0.748489 Li\n0.054249 0.232557 0.370807 Zn\n0.674504 0.995724 0.622231 Zn\n0.494731 0.619366 0.121422 Zn\n0.120423 0.488695 0.621337 Zn\n0.729428 0.617999 0.872747 Zn\n0.617999 0.729428 0.372747 Zn\n0.488695 0.120423 0.121337 Zn\n0.619366 0.494731 0.621422 Zn\n0.991013 0.173953 0.120861 Zn\n0.232557 0.054249 0.870807 Zn\n0.554491 0.230727 0.372579 Zn\n0.733007 0.115500 0.871894 Zn\n0.230727 0.554491 0.872579 Zn\n0.115500 0.733007 0.371894 Zn\n0.173953 0.991013 0.620861 Zn\n0.995724 0.674504 0.122231 Zn\n0.583183 0.956428 0.811074 P\n0.397936 0.081872 0.309141 P\n0.834686 0.518116 0.060173 P\n0.085349 0.898405 0.809065 P\n0.581604 0.455067 0.810796 P\n0.455067 0.581604 0.310796 P\n0.831519 0.017435 0.060179 P\n0.333376 0.961218 0.058218 P\n0.334795 0.462942 0.058719 P\n0.961218 0.333376 0.558218 P\n0.081872 0.397936 0.809141 P\n0.518116 0.834686 0.560173 P\n0.462942 0.334795 0.558719 P\n0.017435 0.831519 0.560179 P\n0.956428 0.583183 0.311074 P\n0.898405 0.085349 0.309065 P\n0.659005 0.860918 0.548467 O\n0.366151 0.993749 0.572886 O\n0.868685 0.992552 0.573859 O\n0.117323 0.557830 0.326546 O\n0.403514 0.155918 0.385349 O\n0.257630 0.580998 0.984339 O\n0.391682 0.193012 0.231928 O\n0.023532 0.214079 0.634543 O\n0.719894 0.529846 0.136708 O\n0.752220 0.067854 0.320427 O\n0.580998 0.257630 0.484339 O\n0.660693 0.336956 0.884965 O\n0.201593 0.891375 0.734653 O\n0.155918 0.403514 0.885349 O\n0.423196 0.471967 0.797962 O\n0.067854 0.752220 0.820427 O\n0.063088 0.252572 0.821163 O\n0.448694 0.491303 0.573505 O\n0.366918 0.797558 0.042047 O\n0.993749 0.366151 0.072886 O\n0.513909 0.759846 0.484146 O\n0.699868 0.889567 0.734516 O\n0.365394 0.300377 0.042400 O\n0.557603 0.615333 0.826582 O\n0.252573 0.063088 0.321163 O\n0.045020 0.922872 0.294972 O\n0.152890 0.907075 0.887098 O\n0.300377 0.365394 0.542400 O\n0.920331 0.547028 0.796968 O\n0.425575 0.973696 0.795731 O\n0.839297 0.656011 0.386667 O\n0.193012 0.391682 0.731928 O\n0.973696 0.425575 0.295731 O\n0.390818 0.691562 0.231616 O\n0.259825 0.078813 0.983115 O\n0.691562 0.390818 0.731616 O\n0.160995 0.853511 0.549259 O\n0.471967 0.423196 0.297962 O\n0.797558 0.366918 0.542047 O\n0.219854 0.525289 0.136650 O\n0.491303 0.448694 0.073505 O\n0.214079 0.023532 0.134543 O\n0.891375 0.201593 0.234653 O\n0.922872 0.045020 0.794972 O\n0.026576 0.714902 0.635107 O\n0.336956 0.660693 0.384965 O\n0.889567 0.699868 0.234516 O\n0.656011 0.839297 0.886667 O\n0.529846 0.719894 0.636708 O\n0.557830 0.117323 0.826546 O\n0.525289 0.219854 0.636650 O\n0.992552 0.868685 0.073859 O\n0.948040 0.488529 0.574840 O\n0.853511 0.160995 0.049259 O\n0.860918 0.659005 0.048467 O\n0.907075 0.152890 0.387098 O\n0.615333 0.557603 0.326582 O\n0.547028 0.920331 0.296968 O\n0.078813 0.259825 0.483115 O\n0.714902 0.026576 0.135107 O\n0.761714 0.010585 0.982833 O\n0.010585 0.761714 0.482833 O\n0.759846 0.513909 0.984146 O\n0.488529 0.948040 0.074840 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"Li",
"Zn",
"P",
"O"
],
"chemical_system": "Li-O-P-Zn",
"density": 3.1661788367308175,
"density_atomic": 0.07976878793815145,
"volume": 1404.0579391382873,
"volume_molar": 7.549495129184178,
"formula_full": "Li16 Zn16 P16 O64",
"formula_reduced": "LiZnPO4",
"formula_anonymous": "ABCD4",
"energy": -739.9429365799999,
"energy_per_atom": -6.6066333623214275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -695.97493658,
"band_gap": 4.1939,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.025000Z",
"spacegroup": 9
}
]
}