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{
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"created_at": "2022-09-04T14:37:52.880817Z",
"updated_at": "2022-09-04T14:37:52.880843Z",
"structure_string": "Li2 Mg4\n1.0\n3.148182 0.000000 0.000000\n1.574091 8.145276 0.000000\n0.000000 0.000000 5.043546\nLi Mg\n2 4\ndirect\n0.332601 0.334795 0.000000 Li\n0.111840 0.776318 0.499999 Li\n0.000424 -0.000848 0.000000 Mg\n0.667016 0.665969 0.000000 Mg\n0.444020 0.111959 0.499999 Mg\n0.777428 0.445144 0.499999 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4264920378553985,
"density_atomic": 0.046392697780165054,
"volume": 129.33069830151734,
"volume_molar": 12.98079449601384,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2714404761904762,
"spacegroup": 63
},
{
"id": "jvasp-101987",
"created_at": "2022-09-04T14:36:45.146840Z",
"updated_at": "2022-09-04T14:36:45.146861Z",
"structure_string": "H20 C32\n1.0\n8.115988 0.000000 -1.804878\n0.000000 3.804276 0.000000\n-0.045200 0.000000 15.266099\nH C\n20 32\ndirect\n0.498688 0.939374 0.704351 H\n0.484303 0.289075 0.055043 H\n0.515697 0.710926 0.944957 H\n0.484303 0.210925 0.555043 H\n0.322910 0.130388 0.902647 H\n0.677090 0.869613 0.097353 H\n0.677090 0.630388 0.597353 H\n0.322910 0.369613 0.402647 H\n0.943603 0.895289 0.206907 H\n0.056397 0.104712 0.793093 H\n0.515697 0.789076 0.444957 H\n0.943603 0.604713 0.706907 H\n0.245103 0.790988 0.245763 H\n0.754898 0.209013 0.754237 H\n0.754898 0.290988 0.254237 H\n0.245103 0.709013 0.745763 H\n0.498688 0.560627 0.204351 H\n0.501313 0.439374 0.795648 H\n0.501313 0.060627 0.295648 H\n0.056397 0.395288 0.293093 H\n0.789153 0.730417 0.579568 C\n0.789153 0.769585 0.079568 C\n0.210847 0.230416 0.920432 C\n0.222756 0.125217 0.508418 C\n0.777244 0.874784 0.491582 C\n0.777244 0.625218 0.991582 C\n0.372668 0.392576 0.072314 C\n0.372668 0.107424 0.572314 C\n0.627333 0.892577 0.427686 C\n0.627333 0.607425 0.927686 C\n0.076769 0.992779 0.531665 C\n0.923231 0.007222 0.468334 C\n0.210847 0.269584 0.420432 C\n0.222756 0.374783 0.008418 C\n0.936496 0.783502 0.140275 C\n0.761569 0.171022 0.320162 C\n0.063504 0.283501 0.359725 C\n0.936496 0.716500 0.640275 C\n0.085119 0.654840 0.118631 C\n0.914882 0.345161 0.881369 C\n0.914882 0.154840 0.381369 C\n0.085119 0.845161 0.618631 C\n0.238432 0.671022 0.179838 C\n0.761569 0.328979 0.820162 C\n0.923231 0.492778 0.968334 C\n0.238431 0.828979 0.679838 C\n0.380201 0.542001 0.156450 C\n0.619799 0.458000 0.843550 C\n0.619799 0.042000 0.343550 C\n0.380201 0.958001 0.656450 C\n0.063504 0.216499 0.859725 C\n0.076769 0.507223 0.031665 C\n",
"nsites": 52,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4259801337822553,
"density_atomic": 0.11039461951102658,
"volume": 471.03744938226873,
"volume_molar": 5.455103506560379,
"formula_full": "H20 C32",
"formula_reduced": "H5C8",
"formula_anonymous": "A5B8",
"energy_above_hull": 5.778081538461539,
"spacegroup": 14
}
]
}