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{
"id": "jvasp-113687",
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"updated_at": "2022-09-04T14:38:46.811094Z",
"structure_string": "Al2 S1 O2\n1.0\n3.094106 0.000000 0.000000\n-1.547053 2.679575 0.000000\n-0.000000 -0.000000 6.946680\nAl S O\n2 1 2\ndirect\n0.666669 0.333333 0.251778 Al\n0.333335 0.666666 0.748222 Al\n0.000000 0.000000 0.000000 S\n0.333335 0.666666 0.337958 O\n0.666669 0.333333 0.662042 O\n",
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{
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"structure_string": "Al2 S2 Cl14\n1.0\n0.000000 6.577717 -0.111652\n6.256506 0.000000 0.000000\n0.000000 -2.806451 -11.883786\nAl S Cl\n2 2 14\ndirect\n0.540727 0.495698 0.145811 Al\n0.540727 0.504303 0.645811 Al\n0.882893 0.084938 0.305726 S\n0.882893 0.915062 0.805726 S\n0.815606 0.879244 0.421703 Cl\n0.517631 0.623673 0.809006 Cl\n0.852693 0.575638 0.623373 Cl\n0.502462 0.838273 0.136314 Cl\n0.852693 0.424362 0.123373 Cl\n0.502462 0.161728 0.636314 Cl\n0.106791 0.926392 0.245483 Cl\n0.517631 0.376328 0.309006 Cl\n0.057856 0.305321 0.405952 Cl\n0.315045 0.336795 0.018734 Cl\n0.815606 0.120757 0.921703 Cl\n0.057856 0.694679 0.905952 Cl\n0.315045 0.663206 0.518734 Cl\n0.106792 0.073609 0.745484 Cl\n",
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{
"id": "jvasp-40420",
"created_at": "2022-09-04T14:37:50.517202Z",
"updated_at": "2022-09-04T14:37:50.517224Z",
"structure_string": "Al2 Ru1 Rh1\n1.0\n0.000000 3.001168 3.001168\n3.001168 -0.000000 3.001168\n3.001168 3.001168 -0.000000\nAl Ru Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Rh\n",
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"formula_full": "Al2 Ru1 Rh1",
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"spacegroup": 225
},
{
"id": "jvasp-40239",
"created_at": "2022-09-04T14:37:50.213258Z",
"updated_at": "2022-09-04T14:37:50.213277Z",
"structure_string": "Al2 Ru1 Pt1\n1.0\n-0.000000 3.030741 3.030741\n3.030741 -0.000000 3.030741\n3.030741 3.030741 0.000000\nAl Ru Pt\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.749999 Ru\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
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"density": 10.44205373069693,
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"volume": 55.67708226450632,
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"formula_full": "Al2 Ru1 Pt1",
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"spacegroup": 225
},
{
"id": "jvasp-99596",
"created_at": "2022-09-04T14:36:36.830091Z",
"updated_at": "2022-09-04T14:36:36.830126Z",
"structure_string": "Al2 Rh2 O6\n1.0\n3.141560 -0.000000 0.000000\n-1.570780 2.720671 0.000000\n-0.000000 -0.000000 11.826342\nAl Rh O\n2 2 6\ndirect\n0.333333 0.666666 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.333333 0.666666 0.085569 O\n0.000000 0.000000 0.250000 O\n0.333333 0.666666 0.414430 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.585569 O\n0.666667 0.333333 0.914430 O\n",
"nsites": 10,
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"density": 5.844497587713952,
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"formula_full": "Al2 Rh2 O6",
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"spacegroup": 194
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{
"id": "jvasp-59547",
"created_at": "2022-09-04T14:37:53.464605Z",
"updated_at": "2022-09-04T14:37:53.464621Z",
"structure_string": "Al8 Re12 B4\n1.0\n6.599181 -0.000000 3.810038\n2.199727 6.221767 3.810038\n-0.000000 -0.000000 7.620077\nAl Re B\n8 12 4\ndirect\n0.710982 0.710983 0.710983 Al\n0.710982 0.710983 0.367054 Al\n0.289018 0.632946 0.289018 Al\n0.367054 0.710983 0.710983 Al\n0.289018 0.289018 0.289018 Al\n0.632946 0.289018 0.289018 Al\n0.289018 0.289018 0.632946 Al\n0.710982 0.367054 0.710983 Al\n0.934007 0.934007 0.315993 Re\n0.315993 0.315993 0.934007 Re\n0.065993 0.684007 0.684007 Re\n0.315993 0.934007 0.934007 Re\n0.684007 0.065993 0.684007 Re\n0.684007 0.684007 0.065993 Re\n0.065993 0.065993 0.684007 Re\n0.934007 0.315993 0.934007 Re\n0.315993 0.934007 0.315993 Re\n0.934007 0.315993 0.315993 Re\n0.684007 0.065993 0.065993 Re\n0.065993 0.684007 0.065993 Re\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n",
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"formula_full": "Al8 Re12 B4",
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{
"id": "jvasp-15857",
"created_at": "2022-09-04T14:37:55.467307Z",
"updated_at": "2022-09-04T14:37:55.467327Z",
"structure_string": "Al1 Pt3 C1\n1.0\n4.188346 0.000000 -0.000000\n-0.000000 4.188346 0.000000\n0.000000 0.000000 4.188346\nAl Pt C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n",
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"volume": 73.47298001522526,
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"formula_full": "Al1 Pt3 C1",
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"spacegroup": 221
},
{
"id": "jvasp-41990",
"created_at": "2022-09-04T14:37:36.346666Z",
"updated_at": "2022-09-04T14:37:36.346687Z",
"structure_string": "Al2 Pd1 Ru1\n1.0\n0.000000 3.029735 3.029735\n3.029735 0.000000 3.029735\n3.029735 3.029735 0.000000\nAl Pd Ru\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Pd\n0.749998 0.749998 0.749998 Ru\n",
"nsites": 4,
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],
"chemical_system": "Al-Pd-Ru",
"density": 7.805467638868793,
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"formula_full": "Al2 Pd1 Ru1",
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},
{
"id": "jvasp-82046",
"created_at": "2022-09-04T14:37:18.597699Z",
"updated_at": "2022-09-04T14:37:18.597727Z",
"structure_string": "Al2 Pd1 Pt1\n1.0\n-10.037030 1.973237 -2.572598\n-7.218361 1.170158 0.674320\n-6.372260 3.563295 -0.791172\nAl Pd Pt\n2 1 1\ndirect\n0.757173 0.994208 0.994208 Al\n0.242827 0.005792 0.005792 Al\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000001 0.000001 Pt\n",
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},
{
"id": "jvasp-105701",
"created_at": "2022-09-04T14:36:01.158954Z",
"updated_at": "2022-09-04T14:36:01.158979Z",
"structure_string": "Al2 Pd2 O6\n1.0\n3.205229 0.000000 -0.000000\n-1.602615 2.775810 0.000000\n-0.000000 -0.000000 11.868151\nAl Pd O\n2 2 6\ndirect\n0.333334 0.666667 0.250000 Al\n0.666668 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.333334 0.666667 0.087190 O\n0.333334 0.666667 0.412810 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666668 0.333333 0.587189 O\n0.666668 0.333333 0.912810 O\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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{
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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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