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{
"id": "jvasp-79921",
"created_at": "2022-09-04T14:37:14.062122Z",
"updated_at": "2022-09-04T14:37:14.062148Z",
"structure_string": "Mg1 Zn1 Au2\n1.0\n0.000000 3.234085 3.234085\n3.234085 0.000000 3.234085\n3.234085 3.234085 0.000000\nMg Zn Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Zn\n0.500002 0.500002 0.500002 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-41170",
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"updated_at": "2022-09-04T14:37:37.863138Z",
"structure_string": "Mg1 Zr1 Au2\n1.0\n0.000000 3.359362 3.359362\n3.359362 0.000000 3.359362\n3.359362 3.359362 -0.000000\nMg Zr Au\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Mg\n0.750001 0.750001 0.750001 Zr\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"volume": 75.82290361668764,
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"formula_full": "Mg1 Zr1 Au2",
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},
{
"id": "jvasp-18620",
"created_at": "2022-09-04T14:35:53.945816Z",
"updated_at": "2022-09-04T14:35:53.945846Z",
"structure_string": "Mn2 Au5\n1.0\n3.884309 0.000000 -0.000000\n-1.942155 4.590713 -0.582905\n-0.000000 0.054299 6.658747\nMn Au\n2 5\ndirect\n0.576135 0.152268 0.718546 Mn\n0.423864 0.847731 0.281454 Mn\n0.863286 0.726574 0.566659 Au\n0.714138 0.428277 0.145935 Au\n0.285861 0.571723 0.854065 Au\n0.136713 0.273426 0.433341 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 7,
"nelements": 2,
"elements": [
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],
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"density": 15.293676075775942,
"density_atomic": 0.058892795159835455,
"volume": 118.86004019680084,
"volume_molar": 10.225598468634184,
"formula_full": "Mn2 Au5",
"formula_reduced": "Mn2Au5",
"formula_anonymous": "A2B5",
"energy_above_hull": 1.7261760475369456,
"spacegroup": 12
},
{
"id": "jvasp-18619",
"created_at": "2022-09-04T14:36:09.331528Z",
"updated_at": "2022-09-04T14:36:09.331555Z",
"structure_string": "Mn2 Au1\n1.0\n2.551623 0.000000 -0.926587\n-0.336477 2.529341 -0.926587\n0.616067 0.703450 5.673131\nMn Au\n2 1\ndirect\n0.692611 0.692612 0.385222 Mn\n0.307388 0.307388 0.614776 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 12.757147548600052,
"density_atomic": 0.07511211626572528,
"volume": 39.94029391192833,
"volume_molar": 8.01753573111345,
"formula_full": "Mn2 Au1",
"formula_reduced": "Mn2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7102440175862066,
"spacegroup": 139
},
{
"id": "jvasp-92490",
"created_at": "2022-09-04T14:36:02.790229Z",
"updated_at": "2022-09-04T14:36:02.790258Z",
"structure_string": "Mn1 Au4\n1.0\n0.000000 -0.000000 4.004465\n-3.279532 3.279532 2.002232\n-3.279532 -3.279532 2.002232\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.601457 0.604117 0.192969 Au\n0.398544 0.395882 0.807030 Au\n0.205574 0.192969 0.395882 Au\n0.794426 0.807030 0.604117 Au\n",
"nsites": 5,
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"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 16.24716561270117,
"density_atomic": 0.05804592825796063,
"volume": 86.13868621033349,
"volume_molar": 10.374785864801984,
"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.258427504275862,
"spacegroup": 87
},
{
"id": "jvasp-100739",
"created_at": "2022-09-04T14:36:35.067340Z",
"updated_at": "2022-09-04T14:36:35.067368Z",
"structure_string": "Mn2 Au6\n1.0\n5.776618 0.000000 0.000000\n-2.888309 5.002698 0.000000\n-0.000000 -0.000000 4.761125\nMn Au\n2 6\ndirect\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.169042 0.338083 0.250000 Au\n0.661917 0.830959 0.250000 Au\n0.169042 0.830959 0.250000 Au\n0.830959 0.661917 0.749999 Au\n0.338083 0.169042 0.749999 Au\n0.830959 0.169042 0.749999 Au\n",
"nsites": 8,
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"elements": [
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],
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"density": 15.588883146140164,
"density_atomic": 0.05814367360159528,
"volume": 137.5902055108624,
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"formula_full": "Mn2 Au6",
"formula_reduced": "MnAu3",
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"spacegroup": 194
},
{
"id": "jvasp-16774",
"created_at": "2022-09-04T14:37:56.417867Z",
"updated_at": "2022-09-04T14:37:56.417892Z",
"structure_string": "Mn1 Au4\n1.0\n3.661736 -0.000000 1.617773\n1.830868 4.638600 0.808886\n-0.043688 -0.000000 5.051839\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.205591 0.192976 0.395843 Au\n0.601434 0.604157 0.192976 Au\n0.398568 0.395843 0.807024 Au\n0.794410 0.807024 0.604157 Au\n",
"nsites": 5,
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"elements": [
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"formula_full": "Mn1 Au4",
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"spacegroup": 87
},
{
"id": "jvasp-102710",
"created_at": "2022-09-04T14:38:45.077095Z",
"updated_at": "2022-09-04T14:38:45.077112Z",
"structure_string": "Mn1 Au4\n1.0\n2.955100 -0.012362 10.980082\n1.441324 2.579797 10.980082\n-0.021168 -0.012362 11.370768\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.605512 0.605515 0.605514 Au\n0.201579 0.201580 0.201580 Au\n0.798418 0.798422 0.798421 Au\n0.394485 0.394487 0.394487 Au\n",
"nsites": 5,
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"elements": [
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],
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"density": 15.958597667240161,
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"volume": 87.69627066873817,
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"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
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"spacegroup": 166
},
{
"id": "jvasp-79142",
"created_at": "2022-09-04T14:37:18.380648Z",
"updated_at": "2022-09-04T14:37:18.380677Z",
"structure_string": "Mn2 Au1\n1.0\n2.716508 -0.000000 -0.000000\n0.000000 2.716508 0.000000\n-1.358254 -1.358254 5.411083\nMn Au\n2 1\ndirect\n0.692629 0.692629 0.385255 Mn\n0.307373 0.307373 0.614744 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
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"elements": [
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],
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"formula_full": "Mn2 Au1",
"formula_reduced": "Mn2Au",
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"spacegroup": 139
},
{
"id": "jvasp-16803",
"created_at": "2022-09-04T14:38:31.778534Z",
"updated_at": "2022-09-04T14:38:31.778567Z",
"structure_string": "Mn1 Au1\n1.0\n3.204276 0.000000 -0.000000\n-0.000000 3.204276 -0.000000\n0.000000 -0.000000 3.204276\nMn Au\n1 1\ndirect\n0.500001 0.500001 0.500001 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
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"elements": [
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],
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"volume": 32.89953432627274,
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"formula_full": "Mn1 Au1",
"formula_reduced": "MnAu",
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"spacegroup": 221
},
{
"id": "jvasp-16804",
"created_at": "2022-09-04T14:38:32.559435Z",
"updated_at": "2022-09-04T14:38:32.559446Z",
"structure_string": "Mn1 Au1\n1.0\n3.199196 0.000000 0.000000\n0.000000 3.199196 -0.000000\n-0.000000 0.000000 3.214297\nMn Au\n1 1\ndirect\n0.500001 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n",
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"formula_full": "Mn1 Au1",
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},
{
"id": "jvasp-5785",
"created_at": "2022-09-04T14:38:37.972823Z",
"updated_at": "2022-09-04T14:38:37.972839Z",
"structure_string": "Mn2 Au1\n1.0\n2.551623 0.000000 -0.926587\n-0.336477 2.529341 -0.926587\n0.616067 0.703450 5.673131\nMn Au\n2 1\ndirect\n0.692611 0.692612 0.385222 Mn\n0.307388 0.307388 0.614776 Mn\n0.000000 0.000000 0.000000 Au\n",
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"elements": [
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"formula_full": "Mn2 Au1",
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}
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}