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{
"id": "jvasp-118924",
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"structure_string": "Au1 C2\n1.0\n5.777766 0.000000 0.000000\n0.000000 2.851978 0.000000\n0.000000 0.000000 2.585637\nAu C\n1 2\ndirect\n0.466689 0.000000 0.000000 Au\n-0.033344 0.000000 0.748956 C\n-0.033344 0.000000 0.251045 C\n",
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{
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"structure_string": "Au1 C2\n1.0\n5.200917 -0.116231 0.159918\n-2.657260 -3.316420 -0.260394\n-1.823733 0.173142 -2.534919\nAu C\n1 2\ndirect\n0.837617 0.782591 -0.078384 Au\n0.491271 0.782645 0.053018 C\n0.183945 0.782527 0.790212 C\n",
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{
"id": "jvasp-36219",
"created_at": "2022-09-04T14:37:16.624602Z",
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"structure_string": "Au1 C1\n1.0\n1.611947 -2.791974 0.000000\n1.611947 2.791974 -0.000000\n0.000000 -0.000000 2.945301\nAu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.333334 0.666668 0.500000 C\n",
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"density": 13.089598885232473,
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"formula_full": "Au1 C1",
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"spacegroup": 187
},
{
"id": "jvasp-118923",
"created_at": "2022-09-04T14:38:49.049510Z",
"updated_at": "2022-09-04T14:38:49.049521Z",
"structure_string": "Au1 C1\n1.0\n3.553168 -0.000000 -0.000000\n-1.776584 3.077134 0.000000\n-0.000000 0.000000 2.980267\nAu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.333334 0.666667 0.000000 C\n",
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"elements": [
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"density": 10.649539330030738,
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"volume": 32.584969964599914,
"volume_molar": 9.811563789359644,
"formula_full": "Au1 C1",
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"spacegroup": 187
},
{
"id": "jvasp-121292",
"created_at": "2022-09-04T14:38:50.109164Z",
"updated_at": "2022-09-04T14:38:50.109188Z",
"structure_string": "Au1 Br2\n1.0\n6.399399 -0.148431 0.636865\n2.069275 -5.953274 0.982484\n-0.559769 2.954428 -2.758204\nAu Br\n1 2\ndirect\n0.965326 0.064222 0.147837 Au\n0.235092 0.485606 0.817440 Br\n0.695578 0.642776 0.478122 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Au-Br",
"density": 6.769903791091073,
"density_atomic": 0.03428157479663054,
"volume": 87.5105655967375,
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"formula_full": "Au1 Br2",
"formula_reduced": "AuBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0396419266666666,
"spacegroup": 2
},
{
"id": "jvasp-37881",
"created_at": "2022-09-04T14:37:33.599121Z",
"updated_at": "2022-09-04T14:37:33.599153Z",
"structure_string": "Au3 Br1\n1.0\n-2.132928 2.132928 4.323704\n2.132928 -2.132928 4.323704\n2.132928 2.132928 -4.323704\nAu Br\n3 1\ndirect\n0.750001 0.250000 0.500001 Au\n0.250000 0.750001 0.500001 Au\n0.500000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Br",
"density": 14.157162418764607,
"density_atomic": 0.05083837431890956,
"volume": 78.6807220645563,
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"formula_full": "Au3 Br1",
"formula_reduced": "Au3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3825392037499999,
"spacegroup": 139
},
{
"id": "jvasp-121293",
"created_at": "2022-09-04T14:38:26.066978Z",
"updated_at": "2022-09-04T14:38:26.067013Z",
"structure_string": "Au1 Br1\n1.0\n4.487144 -0.000000 -0.000000\n-2.243572 3.885980 0.000000\n0.000000 0.000000 3.591572\nAu Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.333333 0.666666 0.000000 Br\n",
"nsites": 2,
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"elements": [
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"density": 7.341262367478939,
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"volume": 62.626067997915044,
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"formula_full": "Au1 Br1",
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"spacegroup": 187
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{
"id": "jvasp-120385",
"created_at": "2022-09-04T14:38:48.791312Z",
"updated_at": "2022-09-04T14:38:48.791335Z",
"structure_string": "Au1 Br3\n1.0\n7.326739 -1.364499 -1.403514\n4.631630 -4.649448 -1.302090\n0.686804 -3.685441 -5.053460\nAu Br\n1 3\ndirect\n0.094007 0.648585 0.788629 Au\n0.873087 0.027177 0.973147 Br\n0.684598 0.479193 0.242166 Br\n0.308505 0.207030 0.659780 Br\n",
"nsites": 4,
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"volume": 125.74696212027862,
"volume_molar": 18.93164765076765,
"formula_full": "Au1 Br3",
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"spacegroup": 1
},
{
"id": "jvasp-86289",
"created_at": "2022-09-04T14:35:59.442793Z",
"updated_at": "2022-09-04T14:35:59.442818Z",
"structure_string": "Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n",
"nsites": 8,
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"elements": [
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"density": 7.972271929721172,
"density_atomic": 0.03468056856152811,
"volume": 230.6767256657542,
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"formula_full": "Au4 Br4",
"formula_reduced": "AuBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0794958374999999,
"spacegroup": 141
},
{
"id": "jvasp-86892",
"created_at": "2022-09-04T14:35:54.934915Z",
"updated_at": "2022-09-04T14:35:54.934945Z",
"structure_string": "Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n",
"nsites": 8,
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"volume": 230.6767256657542,
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"formula_full": "Au4 Br4",
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"spacegroup": 141
},
{
"id": "jvasp-12103",
"created_at": "2022-09-04T14:37:32.015044Z",
"updated_at": "2022-09-04T14:37:32.015071Z",
"structure_string": "Au4 Br4\n1.0\n4.236706 0.000000 -0.000000\n-0.000000 4.236706 -0.000000\n-0.000000 0.000000 12.460678\nAu Br\n4 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.500001 0.000000 0.500000 Au\n0.000000 0.500001 0.500000 Au\n0.500001 0.500001 0.000000 Au\n0.250000 0.250000 0.160239 Br\n0.250000 0.250000 0.660239 Br\n0.750001 0.750001 0.339762 Br\n0.750001 0.750001 0.839762 Br\n",
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"formula_full": "Au4 Br4",
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"spacegroup": 138
},
{
"id": "jvasp-62045",
"created_at": "2022-09-04T14:35:58.689832Z",
"updated_at": "2022-09-04T14:35:58.689855Z",
"structure_string": "Au4 Br4\n1.0\n-3.556681 3.556681 4.550173\n3.556681 -3.556681 4.550173\n3.556681 3.556681 -4.550173\nAu Br\n4 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.500000 -0.000000 0.000000 Au\n0.183779 0.433779 0.250000 Br\n0.433779 0.183779 0.750000 Br\n0.816220 0.566221 0.750000 Br\n0.566221 0.816220 0.250000 Br\n",
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