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{
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{
"id": "jvasp-57539",
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"updated_at": "2022-09-04T14:37:08.830267Z",
"structure_string": "Al6 F18\n1.0\n6.964331 0.016662 0.000000\n-3.466496 6.040330 0.000000\n0.000000 0.000000 7.138501\nAl F\n6 18\ndirect\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.420698 0.210743 0.466271 F\n0.214376 0.785623 0.461766 F\n0.789257 0.579301 0.033729 F\n0.214376 0.785623 0.038234 F\n0.785623 0.214377 0.961766 F\n0.554719 0.005170 0.250000 F\n0.785623 0.214377 0.538234 F\n0.789257 0.579301 0.466271 F\n0.005170 0.554719 0.750000 F\n0.420698 0.210743 0.033729 F\n0.529360 0.470640 0.750000 F\n0.994830 0.445280 0.250000 F\n0.579301 0.789257 0.966271 F\n0.210742 0.420698 0.966271 F\n0.470639 0.529360 0.250000 F\n0.445280 0.994830 0.750000 F\n0.579301 0.789257 0.533729 F\n0.210742 0.420698 0.533729 F\n",
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{
"id": "jvasp-101535",
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"structure_string": "Al2 F6\n1.0\n3.621933 -0.059969 0.055761\n0.048166 4.754637 2.244572\n-0.085835 0.113093 5.914418\nAl F\n2 6\ndirect\n0.000003 0.365660 0.268493 Al\n-0.000001 0.634340 0.731507 Al\n0.000001 -0.000000 0.500000 F\n0.000001 0.500000 0.500000 F\n0.500006 0.637692 0.724914 F\n0.499996 0.362307 0.275085 F\n-0.000284 0.723052 0.000159 F\n0.000286 0.276948 0.999841 F\n",
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{
"id": "jvasp-78762",
"created_at": "2022-09-04T14:37:09.099375Z",
"updated_at": "2022-09-04T14:37:09.099395Z",
"structure_string": "Al1 Fe1\n1.0\n0.000000 -0.000000 -4.921636\n-1.322466 -2.290578 -0.000000\n-1.322466 2.290578 0.000000\nAl Fe\n1 1\ndirect\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n",
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"volume": 29.81735298953526,
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"formula_full": "Al1 Fe1",
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"energy_above_hull": 1.93477415,
"spacegroup": 191
},
{
"id": "jvasp-37941",
"created_at": "2022-09-04T14:38:09.963687Z",
"updated_at": "2022-09-04T14:38:09.963729Z",
"structure_string": "Al6 Fe2\n1.0\n2.688405 -4.656455 0.000000\n2.688405 4.656455 -0.000000\n-0.000000 0.000000 4.384799\nAl Fe\n6 2\ndirect\n0.343395 0.171697 0.249980 Al\n0.828305 0.171697 0.249980 Al\n0.828305 0.656607 0.249980 Al\n0.656607 0.828305 0.750020 Al\n0.171697 0.828305 0.750020 Al\n0.171697 0.343395 0.750020 Al\n0.666668 0.333334 0.749892 Fe\n0.333334 0.666668 0.250108 Fe\n",
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"volume": 109.78165923885625,
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"formula_full": "Al6 Fe2",
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"spacegroup": 194
},
{
"id": "jvasp-112610",
"created_at": "2022-09-04T14:38:42.151566Z",
"updated_at": "2022-09-04T14:38:42.151600Z",
"structure_string": "Al12 Fe7\n1.0\n4.615034 -0.020751 1.267996\n0.724639 6.303184 0.244025\n0.009831 0.000018 8.726940\nAl Fe\n12 7\ndirect\n0.412333 0.460346 0.302251 Al\n0.506926 0.992454 0.831599 Al\n0.493073 0.007546 0.168403 Al\n0.009826 0.294763 0.174888 Al\n0.687967 0.336207 0.968347 Al\n0.312032 0.663793 0.031655 Al\n0.990173 0.705237 0.825113 Al\n0.601968 0.186538 0.514419 Al\n0.961214 0.869707 0.292533 Al\n0.038785 0.130293 0.707468 Al\n0.587666 0.539654 0.697750 Al\n0.398032 0.813461 0.485582 Al\n0.163830 0.479044 0.584665 Fe\n0.225134 0.350799 0.883703 Fe\n0.774865 0.649201 0.116298 Fe\n0.144711 0.153818 0.414875 Fe\n0.855288 0.846182 0.585126 Fe\n0.000000 0.000000 0.000000 Fe\n0.836169 0.520956 0.415336 Fe\n",
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"formula_full": "Al12 Fe7",
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"formula_anonymous": "A7B12",
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"spacegroup": 2
},
{
"id": "jvasp-86876",
"created_at": "2022-09-04T14:35:59.889793Z",
"updated_at": "2022-09-04T14:35:59.889813Z",
"structure_string": "Al12 Fe2\n1.0\n4.936028 0.007533 0.000000\n-0.682119 4.888674 -0.000000\n-0.000000 -0.000000 8.841938\nAl Fe\n12 2\ndirect\n0.677170 0.322829 0.499998 Al\n0.144515 0.144515 0.100026 Al\n0.677171 0.322830 -0.000002 Al\n0.855486 0.855485 0.899979 Al\n0.030414 0.393551 0.750001 Al\n0.322830 0.677170 -0.000002 Al\n0.144514 0.144514 0.399979 Al\n0.969586 0.606448 0.250001 Al\n0.606448 0.969585 0.250001 Al\n0.393552 0.030414 0.750001 Al\n0.855485 0.855484 0.600026 Al\n0.322829 0.677169 0.499998 Al\n0.458836 0.458835 0.249997 Fe\n0.541164 0.541163 0.749997 Fe\n",
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"volume": 213.40698324235254,
"volume_molar": 9.179763516088629,
"formula_full": "Al12 Fe2",
"formula_reduced": "Al6Fe",
"formula_anonymous": "AB6",
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"spacegroup": 63
},
{
"id": "jvasp-18825",
"created_at": "2022-09-04T14:35:57.602866Z",
"updated_at": "2022-09-04T14:35:57.602891Z",
"structure_string": "Al2 Fe4\n1.0\n4.079374 -0.000000 2.355227\n1.359792 3.846070 2.355227\n0.000000 0.000000 4.710455\nAl Fe\n2 4\ndirect\n0.874999 0.875000 0.875001 Al\n0.125000 0.125000 0.125000 Al\n0.499999 0.500000 0.500000 Fe\n0.499999 0.500000 0.000001 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n",
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"spacegroup": 227
},
{
"id": "jvasp-86274",
"created_at": "2022-09-04T14:35:44.685162Z",
"updated_at": "2022-09-04T14:35:44.685184Z",
"structure_string": "Al12 Fe2\n1.0\n4.935947 0.007562 -0.000000\n-0.682079 4.888599 -0.000000\n0.000000 0.000000 8.841845\nAl Fe\n12 2\ndirect\n0.677168 0.322826 0.499998 Al\n0.144524 0.144524 0.100022 Al\n0.677174 0.322832 -0.000001 Al\n0.855482 0.855481 0.899980 Al\n0.030417 0.393550 0.750001 Al\n0.322832 0.677174 -0.000001 Al\n0.144518 0.144518 0.399981 Al\n0.969583 0.606450 0.250002 Al\n0.606450 0.969583 0.250002 Al\n0.393550 0.030417 0.750001 Al\n0.855476 0.855476 0.600022 Al\n0.322826 0.677168 0.499998 Al\n0.458834 0.458834 0.249998 Fe\n0.541166 0.541166 0.749997 Fe\n",
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},
{
"id": "jvasp-15000",
"created_at": "2022-09-04T14:35:52.250227Z",
"updated_at": "2022-09-04T14:35:52.250243Z",
"structure_string": "Al1 Fe1\n1.0\n2.874732 0.000000 0.000000\n0.000000 2.874732 0.000000\n0.000000 -0.000000 2.874732\nAl Fe\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n",
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{
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"created_at": "2022-09-04T14:38:02.278790Z",
"updated_at": "2022-09-04T14:38:02.278820Z",
"structure_string": "Al1 Fe2\n1.0\n2.053728 -3.557161 0.000000\n2.053728 3.557161 0.000000\n0.000000 0.000000 2.556680\nAl Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666668 0.333334 0.500000 Fe\n0.333334 0.666668 0.500000 Fe\n",
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{
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"structure_string": "Al1 Fe1\n1.0\n1.321921 -2.289634 -0.000000\n1.321921 2.289634 0.000000\n0.000000 0.000000 4.920772\nAl Fe\n1 1\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n",
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{
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"structure_string": "Al1 Fe1\n1.0\n0.000000 0.000000 -2.874996\n-2.032741 -3.520810 0.000000\n-0.743931 2.776716 0.000000\nAl Fe\n1 1\ndirect\n0.500001 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Fe\n",
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}