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{
"id": "jvasp-106257",
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{
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"structure_string": "Li1 Au3\n1.0\n-1.998315 1.998315 4.200303\n1.998315 -1.998315 4.200303\n1.998315 1.998315 -4.200303\nLi Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250001 0.499999 Au\n0.250001 0.750000 0.499999 Au\n0.500000 0.500000 0.000000 Au\n",
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{
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"elements": [
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{
"id": "jvasp-116255",
"created_at": "2022-09-04T14:38:30.611147Z",
"updated_at": "2022-09-04T14:38:30.611172Z",
"structure_string": "Li2 Au1\n1.0\n2.871317 -0.026454 -0.028138\n-1.461517 -4.536781 -0.081889\n-1.482834 -2.789136 -3.572886\nLi Au\n2 1\ndirect\n0.868041 0.645459 0.747985 Li\n0.551885 0.328246 0.430590 Li\n0.209807 -0.013130 0.089287 Au\n",
"nsites": 3,
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"elements": [
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"density": 7.595495991722743,
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"volume": 46.096039856087664,
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"formula_full": "Li2 Au1",
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"formula_anonymous": "AB2",
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"spacegroup": 71
},
{
"id": "jvasp-116253",
"created_at": "2022-09-04T14:38:42.109996Z",
"updated_at": "2022-09-04T14:38:42.110019Z",
"structure_string": "Li2 Au1\n1.0\n4.375411 0.000000 1.513990\n0.000000 2.700958 0.000000\n0.875786 0.000000 4.546269\nLi Au\n2 1\ndirect\n-0.267003 0.000000 0.074397 Li\n0.399672 0.000000 -0.258928 Li\n0.066394 0.000000 0.407720 Au\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Au-Li",
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"formula_full": "Li2 Au1",
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"spacegroup": 191
},
{
"id": "jvasp-116254",
"created_at": "2022-09-04T14:38:41.356922Z",
"updated_at": "2022-09-04T14:38:41.356939Z",
"structure_string": "Li2 Au1\n1.0\n2.983006 0.000000 0.000000\n0.000000 2.735653 0.000000\n0.000000 0.000000 6.645436\nLi Au\n2 1\ndirect\n-0.033348 0.000000 0.688959 Li\n-0.033348 0.000000 0.311041 Li\n0.466697 0.000000 0.000000 Au\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Au-Li",
"density": 6.456261902884909,
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"volume": 54.22987654896054,
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"formula_full": "Li2 Au1",
"formula_reduced": "Li2Au",
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"spacegroup": 47
},
{
"id": "jvasp-116241",
"created_at": "2022-09-04T14:38:40.868758Z",
"updated_at": "2022-09-04T14:38:40.868787Z",
"structure_string": "Li2 As1\n1.0\n4.162958 0.000000 0.000000\n0.000000 2.977871 0.000000\n0.000000 0.000000 5.759054\nLi As\n2 1\ndirect\n-0.033329 0.000000 0.770906 Li\n-0.033329 0.000000 0.229094 Li\n0.466657 0.000000 0.000000 As\n",
"nsites": 3,
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"elements": [
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"chemical_system": "As-Li",
"density": 2.065478168559418,
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"volume": 71.39356363062798,
"volume_molar": 14.331402984721946,
"formula_full": "Li2 As1",
"formula_reduced": "Li2As",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-116246",
"created_at": "2022-09-04T14:38:41.289818Z",
"updated_at": "2022-09-04T14:38:41.289843Z",
"structure_string": "Li2 As2\n1.0\n4.785497 0.587808 0.358608\n3.708759 -4.158052 0.976921\n1.372144 4.298960 -3.541321\nLi As\n2 2\ndirect\n0.069463 0.797357 0.923436 Li\n0.111350 0.277367 -0.075069 Li\n0.090869 0.265430 0.422560 As\n0.089973 0.809419 0.425793 As\n",
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"elements": [
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"volume": 66.64031756304819,
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"formula_full": "Li2 As2",
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"formula_anonymous": "AB",
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"spacegroup": 65
},
{
"id": "jvasp-116251",
"created_at": "2022-09-04T14:38:41.314379Z",
"updated_at": "2022-09-04T14:38:41.314404Z",
"structure_string": "Li1 As2\n1.0\n8.466836 0.000000 -0.000000\n0.000000 4.233418 0.000000\n-0.000000 0.000000 8.466836\nLi As\n1 2\ndirect\n-0.000068 0.000000 0.240298 Li\n-0.032523 0.000000 -0.000864 As\n0.241526 0.000000 -0.000064 As\n",
"nsites": 3,
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"volume": 303.4823563611965,
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"formula_full": "Li1 As2",
"formula_reduced": "LiAs2",
"formula_anonymous": "AB2",
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"spacegroup": 6
},
{
"id": "jvasp-63216",
"created_at": "2022-09-04T14:36:14.385663Z",
"updated_at": "2022-09-04T14:36:14.385683Z",
"structure_string": "Li6 As2\n1.0\n2.171094 -3.760447 0.000000\n2.171094 3.760447 0.000000\n0.000000 0.000000 7.745018\nLi As\n6 2\ndirect\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.666666 0.333332 0.415485 Li\n0.333332 0.666666 0.915486 Li\n0.333332 0.666666 0.584515 Li\n0.666666 0.333332 0.084515 Li\n0.666666 0.333332 0.750000 As\n0.333332 0.666666 0.250000 As\n",
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"formula_full": "Li6 As2",
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"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-107005",
"created_at": "2022-09-04T14:36:44.102236Z",
"updated_at": "2022-09-04T14:36:44.102253Z",
"structure_string": "Li2 As6\n1.0\n4.164374 0.000000 0.000000\n-2.082188 3.606454 0.000000\n0.000000 -0.000000 10.177727\nLi As\n2 6\ndirect\n0.333332 0.666666 0.250000 Li\n0.666666 0.333333 0.750000 Li\n0.333332 0.666666 0.569305 As\n0.666666 0.333333 0.430696 As\n0.666666 0.333333 0.069304 As\n0.333332 0.666666 0.930696 As\n0.000000 0.000000 0.250000 As\n0.000000 0.000000 0.750000 As\n",
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},
{
"id": "jvasp-62288",
"created_at": "2022-09-04T14:36:07.934651Z",
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"structure_string": "Li6 As2\n1.0\n2.171072 -3.760406 0.000000\n2.171072 3.760406 -0.000000\n0.000000 0.000000 7.745072\nLi As\n6 2\ndirect\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.666667 0.333332 0.415461 Li\n0.333332 0.666667 0.915461 Li\n0.333332 0.666667 0.584538 Li\n0.666667 0.333332 0.084539 Li\n0.666667 0.333332 0.750000 As\n0.333332 0.666667 0.250000 As\n",
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