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{
"id": "jvasp-46422",
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"structure_string": "Sc2 Fe2 O6\n1.0\n1.646924 -2.852556 -0.000000\n1.646924 2.852556 0.000000\n-0.000000 -0.000000 11.559260\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.250008 Sc\n0.000000 0.000000 0.749992 Sc\n0.333332 0.666666 0.000000 Fe\n0.666666 0.333332 0.500000 Fe\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.333332 0.666666 0.834795 O\n0.333332 0.666666 0.165205 O\n0.666666 0.333332 0.665202 O\n0.666666 0.333332 0.334798 O\n",
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{
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"structure_string": "Rb2 Sc1 Tl1 F6\n1.0\n5.674782 -0.000000 3.276337\n1.891594 5.350236 3.276337\n-0.000000 -0.000000 6.552674\nRb Sc Tl F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Tl\n0.781808 0.218192 0.218192 F\n0.218191 0.218192 0.781808 F\n0.218191 0.781809 0.781808 F\n0.218191 0.781809 0.218192 F\n0.781808 0.218192 0.781808 F\n0.781807 0.781809 0.218193 F\n",
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{
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"updated_at": "2022-09-04T14:38:09.782243Z",
"structure_string": "Rb2 In1 As1 Cl6\n1.0\n6.578644 -0.000000 3.798182\n2.192881 6.202405 3.798182\n-0.000000 -0.000000 7.596363\nRb In As Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.764963 0.235037 0.235037 Cl\n0.235037 0.235037 0.764963 Cl\n0.235037 0.764963 0.764963 Cl\n0.235037 0.764963 0.235037 Cl\n0.764963 0.235037 0.764963 Cl\n0.764963 0.764963 0.235037 Cl\n",
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{
"id": "jvasp-40196",
"created_at": "2022-09-04T14:38:09.770786Z",
"updated_at": "2022-09-04T14:38:09.770803Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n-5.981651 0.000000 3.075471\n-3.781454 5.562311 -0.000000\n-5.956928 0.016808 -4.231200\nCa Sn S\n2 2 6\ndirect\n0.642588 0.642588 0.072236 Ca\n0.357412 0.357412 0.927764 Ca\n0.843444 0.843445 0.469665 Sn\n0.156555 0.156555 0.530335 Sn\n0.039289 0.438789 0.739158 S\n0.438789 0.782763 0.739158 S\n0.782762 0.039289 0.739158 S\n0.960710 0.561211 0.260842 S\n0.561211 0.217237 0.260842 S\n0.217237 0.960711 0.260842 S\n",
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{
"id": "jvasp-9583",
"created_at": "2022-09-04T14:38:09.750196Z",
"updated_at": "2022-09-04T14:38:09.750232Z",
"structure_string": "Ge4 N4 O2\n1.0\n5.172956 -0.000000 -0.000000\n-0.000000 4.933950 -2.481815\n0.000000 0.009194 5.522969\nGe N O\n4 4 2\ndirect\n0.382905 0.982248 0.330549 Ge\n0.882905 0.017751 0.669450 Ge\n0.882905 0.669450 0.017751 Ge\n0.382905 0.330549 0.982248 Ge\n0.233747 0.665787 0.074864 N\n0.733747 0.334212 0.925134 N\n0.733747 0.925135 0.334212 N\n0.233747 0.074864 0.665787 N\n0.294696 0.251678 0.251678 O\n0.794696 0.748321 0.748321 O\n",
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{
"id": "jvasp-108768",
"created_at": "2022-09-04T14:38:28.198523Z",
"updated_at": "2022-09-04T14:38:28.198538Z",
"structure_string": "K1 Na4 Cl5\n1.0\n6.198670 0.000261 3.324887\n4.878707 3.823836 3.324887\n-0.015176 -0.005239 9.995992\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.596682 0.596682 0.598662 Na\n0.201295 0.201295 0.207816 Na\n0.798705 0.798706 0.792184 Na\n0.403318 0.403318 0.401339 Na\n0.205630 0.205631 0.685696 Cl\n0.794369 0.794370 0.314305 Cl\n0.390124 0.390125 0.888249 Cl\n-0.000000 -0.000000 0.500000 Cl\n0.609875 0.609876 0.111751 Cl\n",
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"volume": 237.1351705951712,
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"formula_full": "K1 Na4 Cl5",
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"spacegroup": 12
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{
"id": "jvasp-107799",
"created_at": "2022-09-04T14:38:18.315861Z",
"updated_at": "2022-09-04T14:38:18.315891Z",
"structure_string": "K2 Rb1 Nb1 F6\n1.0\n5.729952 -0.000000 3.308189\n1.909984 5.402250 3.308189\n-0.000000 -0.000000 6.616378\nK Rb Nb F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nb\n0.776013 0.223986 0.223987 F\n0.223986 0.223986 0.776014 F\n0.223986 0.776014 0.776014 F\n0.223986 0.776014 0.223987 F\n0.776013 0.223986 0.776014 F\n0.776013 0.776014 0.223987 F\n",
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"density": 3.004436778189679,
"density_atomic": 0.04882632404065187,
"volume": 204.8075540496186,
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"formula_full": "K2 Rb1 Nb1 F6",
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{
"id": "jvasp-109842",
"created_at": "2022-09-04T14:38:18.346181Z",
"updated_at": "2022-09-04T14:38:18.346198Z",
"structure_string": "K2 Pr1 Cu1 Br6\n1.0\n6.754564 -0.000000 3.899750\n2.251521 6.368264 3.899750\n-0.000000 -0.000000 7.799499\nK Pr Cu Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.760756 0.239243 0.239244 Br\n0.239244 0.239243 0.760757 Br\n0.239244 0.760756 0.760757 Br\n0.239244 0.760756 0.239244 Br\n0.760756 0.239243 0.760757 Br\n0.760756 0.760756 0.239244 Br\n",
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{
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"structure_string": "Mn2 C2 O6\n1.0\n4.360545 -0.020148 3.916403\n1.734284 4.000878 3.916403\n-0.030848 -0.020148 5.861025\nMn C O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n0.750000 0.750000 0.749999 C\n0.250000 0.250000 0.250000 C\n0.479930 0.020070 0.749999 O\n0.750000 0.479929 0.020070 O\n0.979930 0.249999 0.520069 O\n0.520070 0.979930 0.249999 O\n0.249999 0.520070 0.979929 O\n0.020070 0.750000 0.479929 O\n",
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},
{
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"created_at": "2022-09-04T14:38:17.590967Z",
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"structure_string": "Sm2 Si2 Os4 C2\n1.0\n5.916563 -0.004705 0.000000\n-4.604300 3.715664 0.000000\n0.000000 -0.000000 7.176065\nSm Si Os C\n2 2 4 2\ndirect\n0.548555 0.451443 0.250000 Sm\n0.451443 0.548555 0.749999 Sm\n0.270120 0.729877 0.250000 Si\n0.729877 0.270120 0.749999 Si\n0.834348 0.165649 0.058289 Os\n0.165649 0.834348 0.941710 Os\n0.165649 0.834348 0.558289 Os\n0.834348 0.165649 0.441710 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Sm2 Si2 Os4 C2",
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{
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"created_at": "2022-09-04T14:38:09.623813Z",
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"structure_string": "Nd4 Sc2 Si4\n1.0\n7.392136 -0.000000 -0.000000\n0.000000 7.392136 0.000000\n-0.000000 0.000000 4.424529\nNd Sc Si\n4 2 4\ndirect\n0.177869 0.677869 0.500000 Nd\n0.322131 0.177869 0.500000 Nd\n0.677869 0.822132 0.500000 Nd\n0.822132 0.322131 0.500000 Nd\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.118851 0.381149 0.000000 Si\n0.381149 0.881150 0.000000 Si\n0.618851 0.118851 0.000000 Si\n0.881150 0.618851 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:38:18.310722Z",
"updated_at": "2022-09-04T14:38:18.310742Z",
"structure_string": "Sr2 Cl4 O4\n1.0\n5.535417 -0.103865 1.142866\n2.466866 4.956430 1.142866\n0.146439 0.088800 7.337381\nSr Cl O\n2 4 4\ndirect\n0.644539 0.355461 0.250000 Sr\n0.355463 0.644538 0.750000 Sr\n0.710704 0.932862 0.731210 Cl\n0.067138 0.289297 0.768791 Cl\n0.289298 0.067137 0.268791 Cl\n0.932864 0.710701 0.231210 Cl\n0.231024 0.593016 0.093425 O\n0.406985 0.768976 0.406576 O\n0.768978 0.406983 0.906576 O\n0.593017 0.231023 0.593425 O\n",
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}