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{
"id": "jvasp-36420",
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{
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"structure_string": "Si8 O16\n1.0\n8.225999 0.000000 0.000000\n-0.000000 8.225999 0.000000\n0.000000 0.000000 5.563821\nSi O\n8 16\ndirect\n0.313431 0.931221 0.500000 Si\n0.686569 0.931221 0.000000 Si\n0.686569 0.068780 0.500000 Si\n0.931221 0.686569 0.000000 Si\n0.931221 0.313431 0.500000 Si\n0.313431 0.068780 0.000000 Si\n0.068780 0.313431 0.000000 Si\n0.068780 0.686569 0.500000 Si\n0.764162 0.000000 0.250000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.235838 0.250000 O\n0.764162 0.000000 0.750000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.764162 0.250000 O\n0.000000 0.764162 0.750000 O\n0.733716 0.266284 0.500000 O\n0.235838 0.000000 0.750000 O\n0.266284 0.266284 0.000000 O\n0.500000 0.000000 0.500000 O\n0.235838 0.000000 0.250000 O\n0.733716 0.733716 0.000000 O\n0.266284 0.733716 0.500000 O\n0.000000 0.235838 0.750000 O\n0.000000 0.500000 0.000000 O\n",
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{
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{
"id": "jvasp-17616",
"created_at": "2022-09-04T14:38:12.490969Z",
"updated_at": "2022-09-04T14:38:12.490987Z",
"structure_string": "Pb1 O2\n1.0\n3.304913 -0.000000 1.908093\n1.101638 3.115902 1.908093\n-0.000000 0.000000 3.816185\nPb O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.750000 0.749999 0.750000 O\n0.250000 0.250000 0.250000 O\n",
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{
"id": "jvasp-36377",
"created_at": "2022-09-04T14:37:19.265500Z",
"updated_at": "2022-09-04T14:37:19.265518Z",
"structure_string": "Re1 C1\n1.0\n2.328698 2.328698 0.000000\n2.328698 0.000000 -2.328698\n0.000000 2.328698 -2.328698\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.750001 0.750001 0.750001 C\n",
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{
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"created_at": "2022-09-04T14:37:27.952728Z",
"updated_at": "2022-09-04T14:37:27.952750Z",
"structure_string": "Sb4 Cl12\n1.0\n6.304463 -0.000000 0.000000\n0.000000 7.819758 0.000000\n0.000000 0.000000 9.093831\nSb Cl\n4 12\ndirect\n0.981231 0.026680 0.750000 Sb\n0.481231 0.473320 0.250000 Sb\n0.518768 0.526680 0.750000 Sb\n0.018769 0.973320 0.250000 Sb\n0.132947 0.180938 0.435456 Cl\n0.632947 0.319062 0.564544 Cl\n0.367053 0.680938 0.064544 Cl\n0.867052 0.819062 0.935456 Cl\n0.652203 0.059540 0.250000 Cl\n0.152204 0.440460 0.750000 Cl\n0.847796 0.559540 0.250000 Cl\n0.347796 0.940460 0.750000 Cl\n0.132947 0.180938 0.064544 Cl\n0.632947 0.319062 0.935456 Cl\n0.367053 0.680938 0.435456 Cl\n0.867052 0.819062 0.564544 Cl\n",
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"formula_full": "Sb4 Cl12",
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{
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"structure_string": "Nd4 Mn8\n1.0\n2.753914 -4.769918 0.000000\n2.753914 4.769918 -0.000000\n-0.000000 0.000000 8.139763\nNd Mn\n4 8\ndirect\n0.333332 0.666666 0.943291 Nd\n0.666666 0.333332 0.056709 Nd\n0.333332 0.666666 0.556709 Nd\n0.666666 0.333332 0.443291 Nd\n0.158870 0.317740 0.250000 Mn\n0.158869 0.841129 0.250000 Mn\n0.682258 0.841129 0.250000 Mn\n0.317740 0.158870 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.841129 0.158869 0.750000 Mn\n0.841129 0.682258 0.750000 Mn\n0.000000 0.000000 0.500000 Mn\n",
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"density": 7.892991381133506,
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"volume": 213.84694121592997,
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{
"id": "jvasp-80528",
"created_at": "2022-09-04T14:37:19.274363Z",
"updated_at": "2022-09-04T14:37:19.274381Z",
"structure_string": "Mg2 Zn2\n1.0\n3.080456 0.000000 0.000000\n0.000000 4.946629 0.000000\n0.000000 0.000000 4.856005\nMg Zn\n2 2\ndirect\n0.000000 0.000000 0.106095 Mg\n0.500001 0.500000 0.893906 Mg\n0.500001 0.000000 0.602137 Zn\n0.000000 0.500000 0.397864 Zn\n",
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{
"id": "jvasp-36390",
"created_at": "2022-09-04T14:37:27.315559Z",
"updated_at": "2022-09-04T14:37:27.315580Z",
"structure_string": "Sc1 C1\n1.0\n2.871735 0.000000 0.000000\n-0.000000 2.871735 0.000000\n-0.000000 -0.000000 2.871735\nSc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 C\n",
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{
"id": "jvasp-101563",
"created_at": "2022-09-04T14:37:06.872968Z",
"updated_at": "2022-09-04T14:37:06.872985Z",
"structure_string": "Ga2 Pb6\n1.0\n6.864493 -0.000000 0.000000\n-3.432247 5.944825 0.000000\n0.000000 0.000000 5.716740\nGa Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666666 0.333334 0.250000 Ga\n0.168440 0.336879 0.250000 Pb\n0.663120 0.831561 0.250000 Pb\n0.168439 0.831561 0.250000 Pb\n0.831560 0.663121 0.750000 Pb\n0.336879 0.168440 0.750000 Pb\n0.831560 0.168440 0.750000 Pb\n",
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{
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"structure_string": "Sn4 O8\n1.0\n5.636020 0.511801 0.361898\n3.261244 5.648639 -0.000000\n3.261244 1.882880 5.325587\nSn O\n4 8\ndirect\n0.594181 0.135273 0.135273 Sn\n0.594430 0.135188 0.635191 Sn\n0.594430 0.635190 0.135188 Sn\n0.594430 0.635190 0.635191 Sn\n0.362665 0.379140 0.379140 O\n0.362664 0.379140 0.879054 O\n0.362664 0.879053 0.379140 O\n0.826101 0.391299 0.391299 O\n0.362757 0.879080 0.879080 O\n0.826005 0.391273 0.891362 O\n0.826005 0.891361 0.391274 O\n0.826004 0.891361 0.891362 O\n",
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{
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"created_at": "2022-09-04T14:37:07.056488Z",
"updated_at": "2022-09-04T14:37:07.056506Z",
"structure_string": "La1 Zn1\n1.0\n3.754577 0.000000 0.000000\n0.000000 3.754577 0.000000\n-0.000000 -0.000000 3.754577\nLa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Zn\n",
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