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{
"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",
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{
"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",
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},
{
"id": "jvasp-61617",
"created_at": "2022-09-04T14:36:00.795560Z",
"updated_at": "2022-09-04T14:36:00.795587Z",
"structure_string": "Mn9 Au3\n1.0\n3.785102 -0.000000 0.000000\n0.000000 3.785102 0.000000\n0.000000 -0.000000 10.578475\nMn Au\n9 3\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.300987 Mn\n0.500000 0.500000 0.699013 Mn\n0.000000 0.000000 0.301606 Mn\n0.000000 0.000000 0.698394 Mn\n0.500000 0.000000 0.824140 Mn\n0.000000 0.500000 0.824140 Mn\n0.500000 0.000000 0.175860 Mn\n0.000000 0.500000 0.175860 Mn\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"density": 11.89152390304729,
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"volume": 151.55778118061994,
"volume_molar": 7.605852429524769,
"formula_full": "Mn9 Au3",
"formula_reduced": "Mn3Au",
"formula_anonymous": "AB3",
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"spacegroup": 123
},
{
"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": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"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-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",
"nsites": 3,
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"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",
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"formula_anonymous": "AB2",
"energy_above_hull": 2.7102440175862066,
"spacegroup": 139
},
{
"id": "jvasp-16449",
"created_at": "2022-09-04T14:37:55.177427Z",
"updated_at": "2022-09-04T14:37:55.177450Z",
"structure_string": "Mn1 Au2\n1.0\n3.193093 -0.000000 -1.163835\n-0.424200 3.164790 -1.163835\n0.008043 0.009194 4.984262\nMn Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.660297 0.660297 0.320595 Au\n0.339701 0.339702 0.679405 Au\n",
"nsites": 3,
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"elements": [
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"Au"
],
"chemical_system": "Au-Mn",
"density": 14.7783081863531,
"density_atomic": 0.05948057404498218,
"volume": 50.436634954653435,
"volume_molar": 10.124550505255307,
"formula_full": "Mn1 Au2",
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"spacegroup": 139
},
{
"id": "jvasp-41170",
"created_at": "2022-09-04T14:37:37.863116Z",
"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",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zr",
"Au"
],
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"density": 11.157338254669142,
"density_atomic": 0.05275450832404751,
"volume": 75.82290361668764,
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"formula_reduced": "MgZrAu2",
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"spacegroup": 225
},
{
"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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"Zn",
"Au"
],
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"density_atomic": 0.05912561966752366,
"volume": 67.65256791375512,
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"formula_full": "Mg1 Zn1 Au2",
"formula_reduced": "MgZnAu2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-21653",
"created_at": "2022-09-04T14:38:28.805669Z",
"updated_at": "2022-09-04T14:38:28.805704Z",
"structure_string": "Yb4 Mg4 Au4\n1.0\n4.308450 0.000000 0.000000\n-0.000000 7.319070 0.000000\n0.000000 0.000000 8.650345\nYb Mg Au\n4 4 4\ndirect\n0.750000 0.462095 0.825984 Yb\n0.250000 0.037905 0.325984 Yb\n0.750000 0.962095 0.674015 Yb\n0.250000 0.537905 0.174016 Yb\n0.250000 0.637070 0.560942 Mg\n0.250000 0.137070 0.939057 Mg\n0.750000 0.362930 0.439057 Mg\n0.750000 0.862929 0.060942 Mg\n0.250000 0.758900 0.870574 Au\n0.250000 0.258900 0.629425 Au\n0.750000 0.741100 0.370575 Au\n0.750000 0.241100 0.129425 Au\n",
"nsites": 12,
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"elements": [
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"Mg",
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"density_atomic": 0.04399171157347948,
"volume": 272.77865695123876,
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"formula_full": "Yb4 Mg4 Au4",
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"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-40049",
"created_at": "2022-09-04T14:37:49.838748Z",
"updated_at": "2022-09-04T14:37:49.838762Z",
"structure_string": "Y1 Mg1 Au2\n1.0\n-0.000000 3.458644 3.458644\n3.458644 -0.000000 3.458644\n3.458644 3.458644 -0.000000\nY Mg Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Y\n0.250001 0.250001 0.250001 Mg\n0.499999 0.499999 0.499999 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"spacegroup": 225
},
{
"id": "jvasp-110902",
"created_at": "2022-09-04T14:38:37.456577Z",
"updated_at": "2022-09-04T14:38:37.456611Z",
"structure_string": "Y3 Mg3 Au3\n1.0\n7.529226 -0.000000 0.000000\n-3.764613 6.520501 0.000000\n-0.000000 -0.000000 4.131184\nY Mg Au\n3 3 3\ndirect\n0.589264 0.000000 -0.000000 Y\n0.000000 0.589264 -0.000000 Y\n0.410736 0.410736 -0.000000 Y\n0.246587 0.000000 0.500000 Mg\n0.000000 0.246587 0.500000 Mg\n0.753413 0.753413 0.500000 Mg\n0.333334 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
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],
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"volume": 202.8176926665775,
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"formula_full": "Y3 Mg3 Au3",
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"spacegroup": 189
},
{
"id": "jvasp-41411",
"created_at": "2022-09-04T14:38:07.184615Z",
"updated_at": "2022-09-04T14:38:07.184641Z",
"structure_string": "Tm1 Mg1 Au2\n1.0\n0.000000 3.422310 3.422310\n3.422310 0.000000 3.422310\n3.422310 3.422310 0.000000\nTm Mg Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}