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{
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{
"id": "jvasp-19282",
"created_at": "2022-09-04T14:37:00.103610Z",
"updated_at": "2022-09-04T14:37:00.103643Z",
"structure_string": "Al4 Fe4 O14\n1.0\n5.665597 0.000081 3.271183\n1.888624 5.341846 3.271159\n-0.000243 -0.000203 6.542787\nAl Fe O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500001 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500001 0.500000 Al\n0.000000 0.500000 -0.000000 Fe\n0.500001 -0.000001 -0.000001 Fe\n0.000001 -0.000001 0.500000 Fe\n0.000000 -0.000000 -0.000000 Fe\n0.656699 0.093322 0.093272 O\n0.093389 0.093326 0.656653 O\n0.656682 0.656696 0.093277 O\n0.906611 0.343376 0.343361 O\n0.343347 0.906675 0.343320 O\n0.343317 0.343306 0.906723 O\n0.343301 0.906680 0.906728 O\n0.906610 0.343333 0.906721 O\n0.093390 0.656624 0.656639 O\n0.656654 0.093325 0.656680 O\n0.375037 0.374992 0.374964 O\n0.624963 0.625009 0.625036 O\n0.906611 0.906675 0.343348 O\n0.093389 0.656669 0.093278 O\n",
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{
"id": "jvasp-16925",
"created_at": "2022-09-04T14:37:01.260967Z",
"updated_at": "2022-09-04T14:37:01.260994Z",
"structure_string": "Al1 Fe1 O3\n1.0\n3.696341 0.000000 0.000000\n0.000000 3.696341 0.000000\n0.000000 0.000000 3.695971\nAl Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Al1 Fe1 O3",
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},
{
"id": "jvasp-43622",
"created_at": "2022-09-04T14:35:43.951540Z",
"updated_at": "2022-09-04T14:35:43.951551Z",
"structure_string": "Al4 Fe4 O12\n1.0\n4.857429 0.000000 0.000000\n-0.000000 5.116886 0.000000\n0.000000 0.000000 7.351298\nAl Fe O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.024807 0.945166 0.750000 Fe\n0.475193 0.445165 0.750000 Fe\n0.524808 0.554835 0.250000 Fe\n0.975193 0.054835 0.250000 Fe\n0.808904 0.804794 0.071639 O\n0.691097 0.304794 0.428361 O\n0.691097 0.304794 0.071639 O\n0.638219 0.057893 0.750000 O\n0.361781 0.942108 0.250000 O\n0.191097 0.195207 0.571640 O\n0.308904 0.695207 0.928361 O\n0.191097 0.195207 0.928361 O\n0.808904 0.804794 0.428361 O\n0.138219 0.442107 0.250000 O\n0.308904 0.695207 0.571640 O\n0.861781 0.557894 0.750000 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Al-Fe-O",
"density": 4.755790703830712,
"density_atomic": 0.10945957683520803,
"volume": 182.71585345254994,
"volume_molar": 5.501702942873939,
"formula_full": "Al4 Fe4 O12",
"formula_reduced": "AlFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.18492576,
"spacegroup": 62
},
{
"id": "jvasp-23783",
"created_at": "2022-09-04T14:37:49.734522Z",
"updated_at": "2022-09-04T14:37:49.734537Z",
"structure_string": "Np1 Al8 Fe4\n1.0\n4.664443 0.000000 1.903493\n2.332221 6.070216 0.951747\n0.038677 0.000000 6.571994\nNp Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Np\n0.718518 0.781482 0.781481 Al\n0.500000 0.218519 0.781481 Al\n0.499999 0.781482 0.218519 Al\n0.281481 0.218519 0.218518 Al\n0.660260 0.339739 0.339739 Al\n0.339739 0.660261 0.660261 Al\n0.000000 0.339739 0.660261 Al\n-0.000000 0.660261 0.339739 Al\n0.000000 0.000000 0.500000 Fe\n0.499999 0.500000 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.499999 Fe\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Al-Fe-Np",
"density": 6.049064173068245,
"density_atomic": 0.07003038762202729,
"volume": 185.63370047534897,
"volume_molar": 8.59932518509408,
"formula_full": "Np1 Al8 Fe4",
"formula_reduced": "Np(Al2Fe)4",
"formula_anonymous": "AB4C8",
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"spacegroup": 139
},
{
"id": "jvasp-8742",
"created_at": "2022-09-04T14:37:06.862293Z",
"updated_at": "2022-09-04T14:37:06.862310Z",
"structure_string": "Al1 Fe2 Ni1\n1.0\n3.506831 0.000000 2.024670\n1.168944 3.306273 2.024670\n0.000000 0.000000 4.049340\nAl Fe Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.749999 0.749999 0.750001 Fe\n0.499999 0.500000 0.500000 Ni\n",
"nsites": 4,
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"density_atomic": 0.08519658760452922,
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"spacegroup": 225
},
{
"id": "jvasp-40424",
"created_at": "2022-09-04T14:37:51.435511Z",
"updated_at": "2022-09-04T14:37:51.435545Z",
"structure_string": "Al2 Fe1 Ni1\n1.0\n-0.000002 2.874116 2.874115\n2.874114 0.000001 2.874113\n2.874115 2.874115 -0.000000\nAl Fe Ni\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000001 -0.000000 Al\n0.250001 0.249999 0.250001 Fe\n0.750000 0.749998 0.750000 Ni\n",
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"density": 5.892647552072884,
"density_atomic": 0.08423986212962567,
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"spacegroup": 225
},
{
"id": "jvasp-116524",
"created_at": "2022-09-04T14:38:43.044623Z",
"updated_at": "2022-09-04T14:38:43.044637Z",
"structure_string": "Nd2 Al2 Fe15\n1.0\n6.332027 0.028795 0.846419\n0.744586 6.288163 0.846419\n0.032258 0.028795 6.388267\nNd Al Fe\n2 2 15\ndirect\n0.652749 0.652749 0.652749 Nd\n0.347252 0.347252 0.347252 Nd\n0.898222 0.898222 0.898222 Al\n0.101779 0.101779 0.101779 Al\n0.661234 0.661233 0.158307 Fe\n0.338768 0.841693 0.338767 Fe\n0.841694 0.338768 0.338767 Fe\n0.338768 0.338768 0.841693 Fe\n0.286690 0.713311 0.000000 Fe\n0.713311 0.000001 0.286689 Fe\n0.286689 0.000001 0.713311 Fe\n0.158308 0.661233 0.661233 Fe\n0.000001 0.713311 0.286689 Fe\n0.713311 0.286690 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.286690 0.713311 Fe\n0.661233 0.158308 0.661233 Fe\n",
"nsites": 19,
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"elements": [
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],
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"density": 7.717653211156198,
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"volume": 253.9164120143412,
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"formula_full": "Nd2 Al2 Fe15",
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{
"id": "jvasp-41453",
"created_at": "2022-09-04T14:37:44.621922Z",
"updated_at": "2022-09-04T14:37:44.621931Z",
"structure_string": "Nb1 Al1 Fe2\n1.0\n0.000000 2.962720 2.962720\n2.962720 0.000000 2.962720\n2.962720 2.962720 -0.000000\nNb Al Fe\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Nb\n0.249999 0.249999 0.249999 Al\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500001 0.500001 Fe\n",
"nsites": 4,
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"elements": [
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],
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"spacegroup": 225
},
{
"id": "jvasp-119225",
"created_at": "2022-09-04T14:38:49.944826Z",
"updated_at": "2022-09-04T14:38:49.944853Z",
"structure_string": "Al4 Fe2 N6\n1.0\n5.496204 0.002916 0.000000\n-2.749039 4.757478 0.000000\n-0.000000 -0.000000 5.029572\nAl Fe N\n4 2 6\ndirect\n0.335679 0.331469 0.492186 Al\n0.664320 0.995790 0.492186 Al\n0.664320 0.668532 0.992186 Al\n0.335679 0.004211 0.992186 Al\n0.000000 0.667242 0.483959 Fe\n0.000000 0.332759 0.983959 Fe\n0.346224 0.335480 0.870016 N\n0.653776 0.989256 0.870016 N\n0.653776 0.664522 0.370017 N\n0.346224 0.010745 0.370017 N\n0.000000 0.683650 0.879633 N\n0.000000 0.316350 0.379634 N\n",
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"elements": [
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],
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"density": 3.8329017597420925,
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"formula_reduced": "Al2FeN3",
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},
{
"id": "jvasp-53265",
"created_at": "2022-09-04T14:35:48.397762Z",
"updated_at": "2022-09-04T14:35:48.397801Z",
"structure_string": "Al1 Fe2 Mo1\n1.0\n3.578326 -0.000001 2.065947\n1.192774 3.373680 2.065948\n-0.000001 -0.000000 4.131897\nAl Fe Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750001 Fe\n0.500000 0.500000 0.500001 Mo\n",
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},
{
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"created_at": "2022-09-04T14:36:03.091220Z",
"updated_at": "2022-09-04T14:36:03.091240Z",
"structure_string": "Mn1 Al1 Fe2\n1.0\n3.470921 -0.000000 2.003937\n1.156974 3.272415 2.003937\n-0.000000 -0.000000 4.007874\nMn Al Fe\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.749999 0.750001 0.750000 Fe\n",
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},
{
"id": "jvasp-103451",
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"structure_string": "Mn1 Al1 Fe2\n1.0\n3.495316 0.000000 2.018021\n1.165105 3.295415 2.018021\n0.000000 0.000000 4.036042\nMn Al Fe\n1 1 2\ndirect\n0.750002 0.750001 0.749998 Mn\n0.000000 0.000000 0.000000 Al\n0.250001 0.250000 0.249999 Fe\n0.500001 0.500001 0.499999 Fe\n",
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}
]
}