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{
"id": "jvasp-90589",
"created_at": "2022-09-04T14:36:20.756447Z",
"updated_at": "2022-09-04T14:36:20.756466Z",
"structure_string": "Li6 Mg2\n1.0\n6.076924 0.000000 0.000000\n-3.038462 5.262770 0.000000\n0.000000 0.000000 4.996739\nLi Mg\n6 2\ndirect\n0.331274 0.165637 0.250000 Li\n0.834363 0.165637 0.250000 Li\n0.834363 0.668726 0.250000 Li\n0.668726 0.834363 0.750000 Li\n0.165637 0.331274 0.750000 Li\n0.165637 0.834363 0.750000 Li\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
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{
"id": "jvasp-90585",
"created_at": "2022-09-04T14:35:53.210561Z",
"updated_at": "2022-09-04T14:35:53.210593Z",
"structure_string": "Li2 Mg6\n1.0\n4.951814 0.000000 -0.000000\n0.000000 4.951814 0.000000\n0.000000 0.000000 7.038015\nLi Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
"nsites": 8,
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{
"id": "jvasp-90759",
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"updated_at": "2022-09-04T14:35:58.726129Z",
"structure_string": "Li6 Mg2\n1.0\n4.316329 -0.000000 -0.000000\n-0.000000 4.316329 -0.000000\n0.000000 -0.000000 8.567430\nLi Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.250000 Li\n0.000000 0.500000 0.250000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.750000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.050119916868689954,
"volume": 159.6171841417722,
"volume_molar": 12.015464382707401,
"formula_full": "Li6 Mg2",
"formula_reduced": "Li3Mg",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-39228",
"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",
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"chemical_system": "Li-Mg",
"density": 1.4264920378553985,
"density_atomic": 0.046392697780165054,
"volume": 129.33069830151734,
"volume_molar": 12.98079449601384,
"formula_full": "Li2 Mg4",
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"formula_anonymous": "AB2",
"energy_above_hull": 0.2714404761904762,
"spacegroup": 63
},
{
"id": "jvasp-102521",
"created_at": "2022-09-04T14:36:50.279887Z",
"updated_at": "2022-09-04T14:36:50.279914Z",
"structure_string": "Li2 Mg2\n1.0\n3.428661 0.000000 0.000000\n0.000000 4.822440 0.000000\n0.000000 0.000000 4.821623\nLi Mg\n2 2\ndirect\n-0.000000 0.750000 0.750221 Li\n-0.000000 0.250000 0.249778 Li\n0.500000 0.250000 0.749839 Mg\n0.500000 0.750000 0.250161 Mg\n",
"nsites": 4,
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"elements": [
"Li",
"Mg"
],
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"density": 1.301634020138123,
"density_atomic": 0.050173611278149594,
"volume": 79.72318312558825,
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"formula_full": "Li2 Mg2",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3304078571428572,
"spacegroup": 221
},
{
"id": "jvasp-38498",
"created_at": "2022-09-04T14:38:18.550137Z",
"updated_at": "2022-09-04T14:38:18.550156Z",
"structure_string": "Li3 Mg1\n1.0\n3.119981 0.000000 0.000000\n0.000000 5.005418 0.000000\n0.000000 0.000000 5.154579\nLi Mg\n3 1\ndirect\n0.000000 0.000000 0.981296 Li\n0.500000 0.000000 0.481468 Li\n0.500000 0.500000 0.850816 Li\n0.000000 0.500000 0.353087 Mg\n",
"nsites": 4,
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"elements": [
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"density": 0.9309142616758795,
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"volume": 80.49807601252097,
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"formula_full": "Li3 Mg1",
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"spacegroup": 25
},
{
"id": "jvasp-80478",
"created_at": "2022-09-04T14:37:11.300811Z",
"updated_at": "2022-09-04T14:37:11.300820Z",
"structure_string": "Li2 Mg2\n1.0\n4.840076 0.000000 -0.000000\n0.000000 3.424069 0.000000\n0.000000 0.000000 4.841816\nLi Mg\n2 2\ndirect\n0.750001 0.500000 0.250079 Li\n0.250000 0.500000 0.749921 Li\n0.750001 0.000000 0.750051 Mg\n0.250000 0.000000 0.249950 Mg\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li2 Mg2",
"formula_reduced": "LiMg",
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"spacegroup": 221
},
{
"id": "jvasp-78963",
"created_at": "2022-09-04T14:37:12.191316Z",
"updated_at": "2022-09-04T14:37:12.191342Z",
"structure_string": "Li1 Mg2\n1.0\n3.446448 -0.000000 -0.000000\n-1.723225 2.478902 4.915037\n0.000000 -2.437158 2.437881\nLi Mg\n1 2\ndirect\n0.694915 0.389828 0.213403 Li\n0.036426 0.072851 0.872014 Mg\n0.353376 0.706754 0.554967 Mg\n",
"nsites": 3,
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"elements": [
"Li",
"Mg"
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"density": 1.4851369663681926,
"density_atomic": 0.048299961454011955,
"volume": 62.11185081082109,
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"formula_full": "Li1 Mg2",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-91876",
"created_at": "2022-09-04T14:35:52.696926Z",
"updated_at": "2022-09-04T14:35:52.696953Z",
"structure_string": "Li1 Mg7\n1.0\n6.362340 0.000000 -0.000000\n-3.181170 5.509948 0.000000\n-0.000000 0.000000 5.098930\nLi Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Li\n0.167677 0.833838 0.250000 Mg\n0.666162 0.332323 0.250000 Mg\n0.666162 0.833838 0.250000 Mg\n0.330866 0.169134 0.750000 Mg\n0.330866 0.661734 0.750000 Mg\n0.838267 0.169134 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n",
"nsites": 8,
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"formula_full": "Li1 Mg7",
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"formula_anonymous": "AB7",
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"spacegroup": 187
},
{
"id": "jvasp-93391",
"created_at": "2022-09-04T14:35:59.724220Z",
"updated_at": "2022-09-04T14:35:59.724256Z",
"structure_string": "Li3 Mg3\n1.0\n3.102651 -0.000000 -0.000000\n-1.551324 2.686974 0.000000\n0.000000 0.000000 15.079226\nLi Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.333333 Li\n0.333333 0.666666 0.666667 Li\n0.333333 0.666666 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.833333 Mg\n",
"nsites": 6,
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},
{
"id": "jvasp-106959",
"created_at": "2022-09-04T14:36:51.780973Z",
"updated_at": "2022-09-04T14:36:51.780993Z",
"structure_string": "Li2 Mg2\n1.0\n4.398721 0.062256 -3.580878\n-0.493791 3.274891 -4.605059\n-0.015155 -0.062256 5.671966\nLi Mg\n2 2\ndirect\n0.382198 0.632198 0.749999 Li\n0.617801 0.367802 0.250000 Li\n0.133205 0.883205 0.250000 Mg\n0.866794 0.116795 0.750000 Mg\n",
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},
{
"id": "jvasp-94411",
"created_at": "2022-09-04T14:36:22.185972Z",
"updated_at": "2022-09-04T14:36:22.186001Z",
"structure_string": "Li4 Mg2\n1.0\n5.296828 -0.000000 -0.000000\n-2.648414 4.587187 -0.000000\n-0.000000 -0.000000 5.042715\nLi Mg\n4 2\ndirect\n0.665162 0.000000 0.000000 Li\n0.334839 0.334838 0.000000 Li\n0.000001 0.665162 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666668 0.333333 0.500000 Mg\n0.333334 0.666667 0.500000 Mg\n",
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}
]
}