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{
"id": "jvasp-18438",
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"structure_string": "Al1 Pd5 I2\n1.0\n3.991150 0.000000 -0.809647\n-0.164246 3.987769 -0.809647\n0.043146 0.044960 10.454688\nAl Pd I\n1 5 2\ndirect\n0.500000 0.500000 -0.000000 Al\n0.088116 0.588117 0.176233 Pd\n0.588117 0.088117 0.176233 Pd\n0.411883 0.911884 0.823766 Pd\n0.911884 0.411883 0.823767 Pd\n0.000000 0.000000 0.000000 Pd\n0.183067 0.183067 0.366133 I\n0.816933 0.816934 0.633866 I\n",
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{
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"structure_string": "Al1 Pd5 I2\n1.0\n3.991167 0.000000 -0.809650\n-0.164246 3.987787 -0.809650\n0.043174 0.044989 10.454869\nAl Pd I\n1 5 2\ndirect\n0.500000 0.500000 0.000000 Al\n0.088113 0.588114 0.176227 Pd\n0.588113 0.088113 0.176227 Pd\n0.411885 0.911888 0.823773 Pd\n0.911886 0.411887 0.823774 Pd\n0.000000 0.000000 0.000000 Pd\n0.183070 0.183070 0.366140 I\n0.816929 0.816931 0.633860 I\n",
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{
"id": "jvasp-19854",
"created_at": "2022-09-04T14:37:00.273278Z",
"updated_at": "2022-09-04T14:37:00.273292Z",
"structure_string": "Al1 Pd1\n1.0\n3.078511 0.000000 0.000000\n0.000000 3.078511 -0.000000\n0.000000 0.000000 3.078511\nAl Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
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"elements": [
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"density": 7.592552556861926,
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"volume": 29.175756734096755,
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"formula_full": "Al1 Pd1",
"formula_reduced": "AlPd",
"formula_anonymous": "AB",
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},
{
"id": "jvasp-105717",
"created_at": "2022-09-04T14:35:58.857029Z",
"updated_at": "2022-09-04T14:35:58.857054Z",
"structure_string": "Al1 Pb3\n1.0\n4.396755 -0.186790 -3.914085\n-1.007606 4.283815 -3.914085\n0.154517 0.186790 5.884525\nAl Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.749999 0.250000 0.500000 Pb\n0.249999 0.750001 0.500001 Pb\n0.499999 0.500001 0.000001 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Al-Pb",
"density": 9.25398090224402,
"density_atomic": 0.034369634216365574,
"volume": 116.3818030421559,
"volume_molar": 17.521689995561477,
"formula_full": "Al1 Pb3",
"formula_reduced": "AlPb3",
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},
{
"id": "jvasp-121237",
"created_at": "2022-09-04T14:38:55.308887Z",
"updated_at": "2022-09-04T14:38:55.308915Z",
"structure_string": "Al1 P3\n1.0\n6.168400 0.537795 0.556670\n0.322790 -3.804113 -0.481744\n1.733054 3.380247 -2.751629\nAl P\n1 3\ndirect\n0.909636 0.059599 0.940550 Al\n0.409472 0.562300 0.914114 P\n0.162601 0.375721 0.259673 P\n0.656689 0.745005 0.197817 P\n",
"nsites": 4,
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"elements": [
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"density": 2.5228974668545616,
"density_atomic": 0.05068519019257889,
"volume": 78.9185161346334,
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"formula_full": "Al1 P3",
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"spacegroup": 5
},
{
"id": "jvasp-123550",
"created_at": "2022-09-04T14:38:54.672013Z",
"updated_at": "2022-09-04T14:38:54.672038Z",
"structure_string": "Al1 P3\n1.0\n3.319282 0.000000 -1.062875\n0.032130 3.694967 0.100340\n0.062447 0.055625 5.909387\nAl P\n1 3\ndirect\n0.401726 0.002373 0.803451 Al\n0.621106 0.044284 0.242210 P\n0.088686 0.438878 0.177370 P\n0.888484 0.514468 0.776968 P\n",
"nsites": 4,
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"elements": [
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"density": 2.7386483517402778,
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"volume": 72.70131059997792,
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"formula_full": "Al1 P3",
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{
"id": "jvasp-121234",
"created_at": "2022-09-04T14:38:54.352930Z",
"updated_at": "2022-09-04T14:38:54.352956Z",
"structure_string": "Al1 P2\n1.0\n6.340085 0.270576 -0.367805\n-2.133713 -2.866336 -1.076746\n1.831492 -2.184419 -4.291772\nAl P\n1 2\ndirect\n-0.075950 -0.250369 0.024935 Al\n0.349010 0.749425 -0.125061 P\n0.499125 0.749925 0.174950 P\n",
"nsites": 3,
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"elements": [
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"density": 2.617116994768113,
"density_atomic": 0.053168153826896304,
"volume": 56.42475399404187,
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"formula_full": "Al1 P2",
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"spacegroup": 166
},
{
"id": "jvasp-35449",
"created_at": "2022-09-04T14:37:29.857742Z",
"updated_at": "2022-09-04T14:37:29.857763Z",
"structure_string": "Al1 P1 Pt5\n1.0\n3.952265 -0.000000 0.000000\n-0.000000 3.952265 -0.000000\n0.000000 -0.000000 6.899590\nAl P Pt\n1 1 5\ndirect\n0.499999 0.499999 0.000000 Al\n0.000000 0.000000 0.500000 P\n0.000000 0.499999 0.285957 Pt\n0.000000 0.499999 0.714043 Pt\n0.499999 0.000000 0.285957 Pt\n0.499999 0.000000 0.714043 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
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"elements": [
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"density": 15.921785822374382,
"density_atomic": 0.06495052160165038,
"volume": 107.77434618511411,
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"formula_full": "Al1 P1 Pt5",
"formula_reduced": "AlPPt5",
"formula_anonymous": "ABC5",
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},
{
"id": "jvasp-85370",
"created_at": "2022-09-04T14:35:52.524785Z",
"updated_at": "2022-09-04T14:35:52.524821Z",
"structure_string": "Al1 P1 O4\n1.0\n2.716932 0.000000 0.000000\n0.000000 4.267347 0.046188\n0.000000 0.248739 4.260585\nAl P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 P\n0.500000 0.212374 0.787696 O\n0.000000 0.681931 0.681857 O\n0.500000 0.787626 0.212306 O\n0.000000 0.318070 0.318144 O\n",
"nsites": 6,
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"formula_full": "Al1 P1 O4",
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"spacegroup": 65
},
{
"id": "jvasp-113674",
"created_at": "2022-09-04T14:38:50.851902Z",
"updated_at": "2022-09-04T14:38:50.851932Z",
"structure_string": "Al1 P1 O4\n1.0\n-2.459017 2.459017 3.703786\n2.459017 -2.459017 3.703786\n2.459017 2.459017 -3.703786\nAl P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.750002 0.250000 0.500001 P\n-0.014696 0.597007 0.846834 O\n0.861531 0.014697 0.611705 O\n0.750176 0.138471 0.153169 O\n0.402995 0.249826 0.388298 O\n",
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},
{
"id": "jvasp-4564",
"created_at": "2022-09-04T14:37:47.148542Z",
"updated_at": "2022-09-04T14:37:47.148573Z",
"structure_string": "Al1 P1 O4\n1.0\n4.420401 -0.196401 -2.578973\n-2.918136 4.208602 0.042040\n-0.136179 0.196400 5.115907\nAl P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.250000 0.750000 P\n0.620859 0.023868 0.862070 O\n0.161798 0.137931 0.758791 O\n0.379141 0.241209 0.403008 O\n0.838201 0.596992 0.976133 O\n",
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{
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"created_at": "2022-09-04T14:37:15.021873Z",
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"structure_string": "Al1 P1 O4\n1.0\n3.914208 -0.000000 -2.259523\n-1.304336 3.690492 -2.259523\n0.624008 0.882379 5.601063\nAl P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 P\n-0.006853 0.168205 0.336409 O\n0.343262 0.168205 0.336409 O\n0.831796 0.006853 0.663591 O\n0.831795 0.656738 0.663591 O\n",
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}
]
}