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{
"id": "jvasp-79188",
"created_at": "2022-09-04T14:37:02.184622Z",
"updated_at": "2022-09-04T14:37:02.184649Z",
"structure_string": "Mg3 Fe1\n1.0\n5.997029 0.051763 0.000000\n-1.476843 2.557968 0.000000\n-0.000000 0.000000 4.747602\nMg Fe\n3 1\ndirect\n0.660662 0.660662 0.250000 Mg\n0.323203 0.323203 0.750000 Mg\n0.855759 0.355759 0.750000 Mg\n0.160377 0.660377 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:38:55.270747Z",
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"structure_string": "Mg1 Fe1\n1.0\n1.385140 -2.399134 0.000000\n1.385140 2.399134 -0.000000\n0.000000 0.000000 4.452933\nMg Fe\n1 1\ndirect\n0.333334 0.666666 0.250000 Mg\n0.666666 0.333334 0.749999 Fe\n",
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"spacegroup": 187
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{
"id": "jvasp-90595",
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"updated_at": "2022-09-04T14:35:54.804835Z",
"structure_string": "Mg6 Ga2\n1.0\n6.137860 0.000000 -0.000000\n-3.068930 5.315543 0.000000\n0.000000 -0.000000 5.004655\nMg Ga\n6 2\ndirect\n0.661777 0.830888 0.749999 Mg\n0.169111 0.338222 0.749999 Mg\n0.169111 0.830888 0.749999 Mg\n0.830889 0.661777 0.250000 Mg\n0.830889 0.169111 0.250000 Mg\n0.338222 0.169111 0.250000 Mg\n0.666667 0.333333 0.749999 Ga\n0.333333 0.666667 0.250000 Ga\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ga-Mg",
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"density_atomic": 0.04899493982357567,
"volume": 163.28216809341836,
"volume_molar": 12.291352498206829,
"formula_full": "Mg6 Ga2",
"formula_reduced": "Mg3Ga",
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"spacegroup": 194
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{
"id": "jvasp-90593",
"created_at": "2022-09-04T14:35:47.565978Z",
"updated_at": "2022-09-04T14:35:47.566002Z",
"structure_string": "Mg4 Ga4\n1.0\n5.651801 0.000000 0.000000\n-0.000000 5.651801 0.000000\n-0.000000 -0.000000 5.651801\nMg Ga\n4 4\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 8,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.459439195345027,
"density_atomic": 0.04431282127074576,
"volume": 180.53465725237865,
"volume_molar": 13.59006397540224,
"formula_full": "Mg4 Ga4",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.3231355,
"spacegroup": 225
},
{
"id": "jvasp-79753",
"created_at": "2022-09-04T14:37:11.374268Z",
"updated_at": "2022-09-04T14:37:11.374289Z",
"structure_string": "Mg2 Ga2\n1.0\n4.794630 -0.000000 -0.000000\n-2.397314 4.152271 0.000000\n-0.000000 -0.000000 5.440267\nMg Ga\n2 2\ndirect\n0.666667 0.333333 0.562500 Mg\n0.333334 0.666667 0.062500 Mg\n0.666667 0.333333 0.062500 Ga\n0.333334 0.666667 0.562500 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
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"chemical_system": "Ga-Mg",
"density": 2.8832034462228204,
"density_atomic": 0.03693167354164976,
"volume": 108.30811648676016,
"volume_molar": 16.306168073343656,
"formula_full": "Mg2 Ga2",
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"spacegroup": 194
},
{
"id": "jvasp-78863",
"created_at": "2022-09-04T14:37:11.418580Z",
"updated_at": "2022-09-04T14:37:11.418605Z",
"structure_string": "Mg1 Ga3\n1.0\n3.225057 -0.000000 -0.000000\n-1.612529 2.792981 0.000000\n-0.000000 0.000000 8.812117\nMg Ga\n1 3\ndirect\n0.333333 0.666667 0.500000 Mg\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.757605 Ga\n0.000000 0.000000 0.242395 Ga\n",
"nsites": 4,
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"elements": [
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"density": 4.884296171136228,
"density_atomic": 0.050393481186386896,
"volume": 79.37534589455083,
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"formula_full": "Mg1 Ga3",
"formula_reduced": "MgGa3",
"formula_anonymous": "AB3",
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"spacegroup": 187
},
{
"id": "jvasp-79223",
"created_at": "2022-09-04T14:37:15.740705Z",
"updated_at": "2022-09-04T14:37:15.740742Z",
"structure_string": "Mg2 Ga2\n1.0\n4.793878 0.000000 0.000000\n-2.396939 4.151619 -0.000000\n0.000000 -0.000000 5.438551\nMg Ga\n2 2\ndirect\n0.666667 0.333333 0.562491 Mg\n0.333333 0.666667 0.062490 Mg\n0.666667 0.333333 0.062510 Ga\n0.333333 0.666667 0.562510 Ga\n",
"nsites": 4,
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"elements": [
"Mg",
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],
"chemical_system": "Ga-Mg",
"density": 2.885018603898912,
"density_atomic": 0.036954924349985145,
"volume": 108.2399726249638,
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"formula_full": "Mg2 Ga2",
"formula_reduced": "MgGa",
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"energy_above_hull": 0.3855755,
"spacegroup": 194
},
{
"id": "jvasp-79222",
"created_at": "2022-09-04T14:36:47.903028Z",
"updated_at": "2022-09-04T14:36:47.903047Z",
"structure_string": "Mg3 Ga1\n1.0\n3.206211 -0.000000 0.000000\n-1.603106 2.776660 -0.000000\n-0.000000 0.000000 9.607387\nMg Ga\n3 1\ndirect\n0.666666 0.333333 0.000000 Mg\n0.000000 0.000000 0.732645 Mg\n0.000000 0.000000 0.267355 Mg\n0.666666 0.333333 0.500000 Ga\n",
"nsites": 4,
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"volume": 85.53031841322507,
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"formula_full": "Mg3 Ga1",
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"spacegroup": 187
},
{
"id": "jvasp-18704",
"created_at": "2022-09-04T14:35:48.862186Z",
"updated_at": "2022-09-04T14:35:48.862205Z",
"structure_string": "Mg2 Ga4\n1.0\n2.163163 -3.746709 0.000000\n2.163163 3.746709 -0.000000\n-0.000000 -0.000000 7.047691\nMg Ga\n2 4\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.666666 0.333332 0.446283 Ga\n0.333332 0.666666 0.946283 Ga\n0.666666 0.333332 0.053717 Ga\n0.333332 0.666666 0.553717 Ga\n",
"nsites": 6,
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"elements": [
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"density": 4.760438888172681,
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"volume": 114.23943845614306,
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"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-90594",
"created_at": "2022-09-04T14:35:51.302593Z",
"updated_at": "2022-09-04T14:35:51.302624Z",
"structure_string": "Mg2 Ga6\n1.0\n5.905688 0.000000 0.000000\n-2.952843 5.114475 -0.000000\n0.000000 0.000000 5.022177\nMg Ga\n2 6\ndirect\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666666 0.250000 Mg\n0.164030 0.835969 0.750000 Ga\n0.671941 0.835969 0.750000 Ga\n0.164030 0.328059 0.750000 Ga\n0.835970 0.164030 0.250000 Ga\n0.835970 0.671940 0.250000 Ga\n0.328059 0.164030 0.250000 Ga\n",
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"volume": 151.69231322431676,
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"formula_full": "Mg2 Ga6",
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},
{
"id": "jvasp-90596",
"created_at": "2022-09-04T14:35:58.084534Z",
"updated_at": "2022-09-04T14:35:58.084553Z",
"structure_string": "Mg4 Ga4\n1.0\n6.265750 -0.000000 -0.000000\n-0.000000 6.265750 -0.000000\n-0.000000 -0.000000 6.265750\nMg Ga\n4 4\ndirect\n0.250000 0.250000 0.750000 Mg\n0.250000 0.750000 0.250000 Mg\n0.750000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n",
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},
{
"id": "jvasp-38943",
"created_at": "2022-09-04T14:38:06.906166Z",
"updated_at": "2022-09-04T14:38:06.906189Z",
"structure_string": "Mg3 Ga1\n1.0\n-2.173595 2.173595 4.382132\n2.173595 -2.173595 4.382132\n2.173595 2.173595 -4.382132\nMg Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750001 0.250000 0.500001 Mg\n0.250000 0.750001 0.500001 Mg\n0.000000 0.000000 0.000000 Ga\n",
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]
}