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{
"id": "jvasp-98876",
"created_at": "2022-09-04T14:35:45.597351Z",
"updated_at": "2022-09-04T14:35:45.597368Z",
"structure_string": "Ag2 Sb2 C12 N8 O4 F12\n1.0\n7.638114 -0.001538 0.117099\n1.113803 7.556469 0.117099\n0.133673 0.115391 10.402538\nAg Sb C N O F\n2 2 12 8 4 12\ndirect\n0.720662 0.279337 0.250000 Ag\n0.279336 0.720663 0.750000 Ag\n0.305708 0.694291 0.250000 Sb\n0.694290 0.305709 0.750000 Sb\n0.219433 0.054745 0.955198 C\n0.796477 0.626008 0.059669 C\n0.054745 0.219434 0.455198 C\n0.373991 0.203522 0.440331 C\n0.220583 0.183460 0.523366 C\n0.626007 0.796478 0.559669 C\n0.945254 0.780566 0.544802 C\n0.779416 0.816540 0.476635 C\n0.183459 0.220583 0.023365 C\n0.203521 0.373992 0.940331 C\n0.816539 0.779417 0.976635 C\n0.780565 0.945254 0.044802 C\n0.510168 0.778980 0.630698 N\n0.778980 0.510169 0.130697 N\n0.242397 0.923650 0.900130 N\n0.076350 0.757602 0.599870 N\n0.923649 0.242397 0.400130 N\n0.489830 0.221020 0.369303 N\n0.221019 0.489831 0.869303 N\n0.757602 0.076350 0.099870 N\n0.771161 0.861254 0.363605 O\n0.861253 0.771162 0.863605 O\n0.228838 0.138746 0.636396 O\n0.138746 0.228838 0.136396 O\n0.446342 0.837633 0.147309 F\n0.617501 0.503054 0.858680 F\n0.837632 0.446343 0.647309 F\n0.162366 0.553657 0.352691 F\n0.503053 0.617502 0.358680 F\n0.382497 0.496946 0.141320 F\n0.766600 0.106063 0.641681 F\n0.233399 0.893937 0.358319 F\n0.893936 0.233399 0.858319 F\n0.106063 0.766601 0.141681 F\n0.496945 0.382498 0.641320 F\n0.553656 0.162366 0.852691 F\n",
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{
"id": "jvasp-36103",
"created_at": "2022-09-04T14:37:31.836355Z",
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"structure_string": "Ag2 S2 O8\n1.0\n4.783927 -0.254018 0.155410\n2.008014 4.175194 -0.084230\n2.282175 0.174723 8.061240\nAg S O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500001 0.499999 0.500000 Ag\n0.847740 0.582871 0.758076 S\n0.152262 0.417126 0.241924 S\n0.756572 0.758900 0.913514 O\n0.072824 0.257263 0.769003 O\n0.546327 0.587007 0.739388 O\n0.000578 0.731176 0.608034 O\n-0.000577 0.268823 0.391966 O\n0.453674 0.412991 0.260612 O\n0.927178 0.742735 0.230997 O\n0.243429 0.241098 0.086486 O\n",
"nsites": 12,
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],
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"density": 4.134270656578211,
"density_atomic": 0.07325178886893652,
"volume": 163.81852491644437,
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"formula_full": "Ag2 S2 O8",
"formula_reduced": "AgSO4",
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"spacegroup": 2
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{
"id": "jvasp-110293",
"created_at": "2022-09-04T14:37:53.001978Z",
"updated_at": "2022-09-04T14:37:53.001998Z",
"structure_string": "Ag2 S1\n1.0\n3.809847 -0.000000 2.199616\n1.269949 3.591958 2.199616\n-0.000000 -0.000000 4.399232\nAg S\n2 1\ndirect\n0.750001 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-36844",
"created_at": "2022-09-04T14:37:58.681751Z",
"updated_at": "2022-09-04T14:37:58.681766Z",
"structure_string": "Ag2 Rh2 O4\n1.0\n1.548607 -2.682267 -0.000000\n1.548607 2.682267 0.000000\n-0.000000 0.000000 12.495783\nAg Rh O\n2 2 4\ndirect\n0.333334 0.666668 0.250000 Ag\n0.666668 0.333334 0.750000 Ag\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.333334 0.666668 0.419137 O\n0.333334 0.666668 0.080863 O\n0.666668 0.333334 0.919137 O\n0.666668 0.333334 0.580863 O\n",
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{
"id": "jvasp-36793",
"created_at": "2022-09-04T14:38:04.921994Z",
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"structure_string": "Ag2 Pt2 O4\n1.0\n-1.197781 -2.739085 -0.863988\n-0.004800 0.007015 5.588512\n-5.844355 2.723853 -0.533117\nAg Pt O\n2 2 4\ndirect\n0.360587 0.721172 0.551010 Ag\n0.639414 0.278828 0.448990 Ag\n0.884366 0.768732 0.056440 Pt\n0.115635 0.231267 0.943561 Pt\n0.317072 0.634140 0.870909 O\n0.568626 0.137249 0.750982 O\n0.431376 0.862750 0.249018 O\n0.682929 0.365859 0.129092 O\n",
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{
"id": "jvasp-36792",
"created_at": "2022-09-04T14:38:06.075927Z",
"updated_at": "2022-09-04T14:38:06.075964Z",
"structure_string": "Ag2 Pt2 O4\n1.0\n0.000000 6.262334 0.016349\n3.123842 0.000000 0.000000\n0.000000 -2.975732 -5.681583\nAg Pt O\n2 2 4\ndirect\n0.500000 0.000000 -0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.764096 0.000000 0.366962 O\n0.086595 0.500000 0.229271 O\n0.913404 0.500000 0.770728 O\n0.235903 0.000000 0.633037 O\n",
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},
{
"id": "jvasp-36818",
"created_at": "2022-09-04T14:37:57.205211Z",
"updated_at": "2022-09-04T14:37:57.205235Z",
"structure_string": "Ag2 Pd2 O4\n1.0\n0.000000 6.218108 -0.002964\n3.052939 0.000000 0.000000\n0.000000 -2.957390 -5.674738\nAg Pd O\n2 2 4\ndirect\n0.500000 0.000000 -0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.094606 0.500000 0.234160 O\n0.758493 0.000000 0.359106 O\n0.241507 0.000000 0.640894 O\n0.905394 0.500000 0.765839 O\n",
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{
"id": "jvasp-99265",
"created_at": "2022-09-04T14:36:11.580307Z",
"updated_at": "2022-09-04T14:36:11.580343Z",
"structure_string": "Ag2 Pd2 F12\n1.0\n4.882949 0.020247 1.154228\n2.262191 4.336769 1.183988\n0.063787 0.024356 10.129129\nAg Pd F\n2 2 12\ndirect\n0.500000 0.500001 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.275577 0.231481 0.249969 Pd\n0.724423 0.768521 0.750032 Pd\n0.936323 0.509442 0.366028 F\n0.063676 0.490559 0.633972 F\n0.617850 0.946210 0.132822 F\n0.382150 0.053791 0.867178 F\n0.670831 0.428328 0.865578 F\n0.329169 0.571674 0.134424 F\n0.011409 0.709562 0.867530 F\n-0.011409 0.290439 0.132470 F\n0.441045 0.823064 0.632244 F\n0.558954 0.176938 0.367756 F\n0.786870 0.110962 0.633705 F\n0.213130 0.889040 0.366295 F\n",
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{
"id": "jvasp-8088",
"created_at": "2022-09-04T14:37:07.006490Z",
"updated_at": "2022-09-04T14:37:07.006511Z",
"structure_string": "Ag2 Pd1 O2\n1.0\n2.923286 0.000000 -0.807081\n-0.507569 4.142272 -1.838439\n0.007079 0.028837 5.723321\nAg Pd O\n2 1 2\ndirect\n0.358679 0.358569 0.717358 Ag\n0.641323 0.641432 0.282642 Ag\n0.000000 0.000000 0.000000 Pd\n0.638921 0.139041 0.277841 O\n0.361081 0.860960 0.722159 O\n",
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{
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"created_at": "2022-09-04T14:38:04.005918Z",
"updated_at": "2022-09-04T14:38:04.005947Z",
"structure_string": "Ag2 Pd1 Au1\n1.0\n-9.504559 0.000000 -5.487460\n-6.016142 -1.152445 -0.554654\n-4.630300 2.767312 -2.955005\nAg Pd Au\n2 1 1\ndirect\n0.752726 0.000000 0.000000 Ag\n0.247274 0.000000 0.000000 Ag\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Au\n",
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{
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"updated_at": "2022-09-04T14:38:04.333654Z",
"structure_string": "Ag2 Pb8 Cl2 O8\n1.0\n6.345376 0.000000 -0.000000\n-0.000000 8.285338 0.000002\n0.000000 -0.000002 8.285338\nAg Pb Cl O\n2 8 2 8\ndirect\n0.914311 0.750000 0.750000 Ag\n0.085690 0.250000 0.250000 Ag\n0.234295 0.602955 0.062221 Pb\n0.765706 0.937779 0.102955 Pb\n0.765706 0.562221 0.397045 Pb\n0.765706 0.397045 0.937779 Pb\n0.234295 0.062221 0.897045 Pb\n0.234295 0.437779 0.602955 Pb\n0.234295 0.897045 0.437779 Pb\n0.765706 0.102955 0.562221 Pb\n0.488862 0.250000 0.250000 Cl\n0.511139 0.750000 0.750000 Cl\n0.919714 0.993507 0.340774 O\n0.080286 0.840774 0.006493 O\n0.080286 0.006493 0.659226 O\n0.080286 0.659226 0.493507 O\n0.080286 0.493507 0.840774 O\n0.919714 0.506493 0.159226 O\n0.919714 0.340774 0.506493 O\n0.919714 0.159226 0.993507 O\n",
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{
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"structure_string": "Ag2 Pb6\n1.0\n3.403433 -5.894919 -0.000000\n3.403433 5.894919 0.000000\n0.000000 0.000000 5.575707\nAg Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.658078 0.829039 0.250000 Pb\n0.170960 0.829039 0.250000 Pb\n0.170961 0.341921 0.250000 Pb\n0.341921 0.170961 0.750000 Pb\n0.829039 0.170960 0.750000 Pb\n0.829039 0.658078 0.750000 Pb\n",
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]
}