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{
"id": "jvasp-90586",
"created_at": "2022-09-04T14:36:01.854629Z",
"updated_at": "2022-09-04T14:36:01.854648Z",
"structure_string": "Li4 Mg4\n1.0\n10.801436 0.000000 0.232785\n0.000000 3.450157 0.000000\n-2.273150 0.000000 4.290397\nLi Mg\n4 4\ndirect\n0.867096 0.500000 0.616984 Li\n0.632905 0.000000 0.383018 Li\n0.367096 0.000000 0.616984 Li\n0.132904 0.500000 0.383018 Li\n0.616380 0.500000 0.866468 Mg\n0.883621 0.000000 0.133535 Mg\n0.116380 0.000000 0.866467 Mg\n0.383621 0.500000 0.133534 Mg\n",
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{
"id": "jvasp-90587",
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"structure_string": "Li6 Mg2\n1.0\n3.362428 0.000000 0.000000\n0.000000 9.698100 0.000000\n0.000000 0.000000 4.880480\nLi Mg\n6 2\ndirect\n0.500000 0.000000 0.916823 Li\n0.000000 0.241741 0.916523 Li\n0.500000 0.258259 0.416524 Li\n0.000000 0.500000 0.416823 Li\n0.500000 0.741740 0.416524 Li\n0.000000 0.758259 0.916523 Li\n0.000000 0.000000 0.416795 Mg\n0.500000 0.500000 0.916795 Mg\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-109635",
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"updated_at": "2022-09-04T14:38:28.387611Z",
"structure_string": "Li3 Mg5\n1.0\n5.403302 -0.761929 -2.456803\n-2.545178 4.826829 -2.456803\n0.535729 0.761929 5.911391\nLi Mg\n3 5\ndirect\n0.500000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 -0.000000 0.000000 Mg\n-0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.04850104236880128,
"volume": 164.94490858914136,
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"formula_full": "Li3 Mg5",
"formula_reduced": "Li3Mg5",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.2216310714285715,
"spacegroup": 229
},
{
"id": "jvasp-109164",
"created_at": "2022-09-04T14:38:18.609896Z",
"updated_at": "2022-09-04T14:38:18.609915Z",
"structure_string": "Li4 Mg1\n1.0\n3.085169 0.022078 12.272568\n1.537591 2.674803 12.272568\n0.037844 0.022078 12.654357\nLi Mg\n4 1\ndirect\n0.599530 0.599531 0.599531 Li\n0.200170 0.200170 0.200170 Li\n0.799829 0.799830 0.799831 Li\n0.400469 0.400470 0.400470 Li\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Li",
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],
"chemical_system": "Li-Mg",
"density": 0.8448102956869359,
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"volume": 102.34559060207775,
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"formula_full": "Li4 Mg1",
"formula_reduced": "Li4Mg",
"formula_anonymous": "AB4",
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"spacegroup": 166
},
{
"id": "jvasp-90590",
"created_at": "2022-09-04T14:35:43.345123Z",
"updated_at": "2022-09-04T14:35:43.345153Z",
"structure_string": "Li2 Mg6\n1.0\n6.317607 0.000000 -0.000000\n-3.158803 5.471209 0.000000\n-0.000000 0.000000 5.040153\nLi Mg\n2 6\ndirect\n0.333334 0.666667 0.250000 Li\n0.666667 0.333333 0.749999 Li\n0.831293 0.168707 0.250000 Mg\n0.831294 0.662586 0.250000 Mg\n0.337415 0.168707 0.250000 Mg\n0.662586 0.831293 0.749999 Mg\n0.168708 0.831293 0.749999 Mg\n0.168708 0.337415 0.749999 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.522323719160192,
"density_atomic": 0.04592089622439155,
"volume": 174.21262775247587,
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"formula_full": "Li2 Mg6",
"formula_reduced": "LiMg3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-101160",
"created_at": "2022-09-04T14:36:35.946547Z",
"updated_at": "2022-09-04T14:36:35.946564Z",
"structure_string": "Li1 Mg1\n1.0\n3.011420 0.005020 0.000000\n-1.017169 2.834438 0.000000\n-0.000000 0.000000 4.845834\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
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"elements": [
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"density": 1.2536519382058466,
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"formula_full": "Li1 Mg1",
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},
{
"id": "jvasp-78567",
"created_at": "2022-09-04T14:36:36.167823Z",
"updated_at": "2022-09-04T14:36:36.167842Z",
"structure_string": "Li1 Mg1\n1.0\n3.110548 -0.000000 -0.000000\n-1.555274 2.693813 -0.000000\n0.000000 0.000000 5.032195\nLi Mg\n1 1\ndirect\n0.333334 0.666666 0.000000 Li\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 2,
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"elements": [
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"spacegroup": 187
},
{
"id": "jvasp-78562",
"created_at": "2022-09-04T14:36:35.034153Z",
"updated_at": "2022-09-04T14:36:35.034172Z",
"structure_string": "Li1 Mg1\n1.0\n3.420218 -0.000000 0.000000\n-0.000000 3.420218 -0.000000\n-0.000000 -0.000000 3.420218\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
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"elements": [
"Li",
"Mg"
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"density": 1.296827349695291,
"density_atomic": 0.049988330307761904,
"volume": 40.00933793320661,
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"formula_full": "Li1 Mg1",
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"spacegroup": 221
},
{
"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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"elements": [
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"formula_full": "Li3 Mg3",
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"spacegroup": 166
},
{
"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",
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},
{
"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",
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"spacegroup": 63
},
{
"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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]
}