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{
"id": "jvasp-15666",
"created_at": "2022-09-04T14:36:43.544772Z",
"updated_at": "2022-09-04T14:36:43.544791Z",
"structure_string": "Dy1 Co2 Si2\n1.0\n3.645131 -0.000000 -1.364520\n-0.510795 3.609165 -1.364520\n0.014176 0.016324 5.588867\nDy Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250001 0.749999 0.500000 Co\n0.750001 0.249999 0.500000 Co\n0.628652 0.628650 0.257302 Si\n0.371350 0.371348 0.742698 Si\n",
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{
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"structure_string": "Ti1 Al1 Co2\n1.0\n2.950138 -0.000000 0.000000\n0.000000 2.950138 0.000000\n0.000000 -0.000000 5.659232\nTi Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.251024 Co\n0.500000 0.500000 0.748976 Co\n",
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{
"id": "jvasp-50834",
"created_at": "2022-09-04T14:36:50.075513Z",
"updated_at": "2022-09-04T14:36:50.075531Z",
"structure_string": "Ce1 Th3 O8\n1.0\n0.000000 2.791679 2.791679\n-5.580355 2.789473 -2.789473\n-5.580355 -2.789473 2.789473\nCe Th O\n1 3 8\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000001 Th\n0.500000 0.000001 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.500000 0.874688 0.874688 O\n0.000000 0.376946 0.870902 O\n0.500000 0.622374 0.622374 O\n0.000000 0.870902 0.376946 O\n0.000000 0.129099 0.623054 O\n0.500000 0.377626 0.377626 O\n0.000000 0.623054 0.129099 O\n0.500000 0.125312 0.125312 O\n",
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"elements": [
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"density": 9.211242058304698,
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"volume": 173.82388850086457,
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"spacegroup": 65
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{
"id": "jvasp-35187",
"created_at": "2022-09-04T14:37:57.744816Z",
"updated_at": "2022-09-04T14:37:57.744829Z",
"structure_string": "Si2 P4 O14\n1.0\n0.000000 4.338319 0.005386\n7.196219 0.000000 0.000000\n0.000000 -1.510026 -6.156225\nSi P O\n2 4 14\ndirect\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.886291 0.111676 0.682591 P\n0.113708 0.611676 0.817410 P\n0.113709 0.888324 0.317409 P\n0.886291 0.388324 0.182591 P\n0.188258 0.356499 0.360858 O\n0.811742 0.856499 0.139142 O\n0.811741 0.643501 0.639143 O\n0.188258 0.143501 0.860858 O\n0.735948 0.207033 0.090480 O\n0.264051 0.707033 0.409520 O\n0.648303 0.510832 0.261254 O\n0.735948 0.292967 0.590480 O\n-0.000000 0.000000 0.500000 O\n0.351697 0.010832 0.238746 O\n0.351697 0.489168 0.738746 O\n0.648302 0.989168 0.761254 O\n0.264051 0.792967 0.909520 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 20,
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{
"id": "jvasp-48164",
"created_at": "2022-09-04T14:37:07.719961Z",
"updated_at": "2022-09-04T14:37:07.719986Z",
"structure_string": "Li1 Fe1 Co2 O6\n1.0\n6.239929 0.029214 -0.011358\n0.625648 2.752556 -0.000014\n-1.376502 0.312790 5.624138\nLi Fe Co O\n1 1 2 6\ndirect\n0.333318 0.333336 0.833314 Li\n0.333338 0.333329 0.333325 Fe\n0.675105 0.662447 0.657818 Co\n0.991564 0.004220 0.008862 Co\n0.016370 0.491829 0.228343 O\n0.350653 0.824681 0.560720 O\n0.316019 0.841983 0.105935 O\n0.676928 0.161543 0.877716 O\n0.650302 0.174839 0.438337 O\n0.989740 0.505125 0.788965 O\n",
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"formula_full": "Li1 Fe1 Co2 O6",
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{
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"created_at": "2022-09-04T14:35:43.156796Z",
"updated_at": "2022-09-04T14:35:43.156824Z",
"structure_string": "Li2 Nd2 P8 O24\n1.0\n6.424406 0.000000 2.750081\n2.292592 8.011532 3.523326\n-0.043437 -0.137216 8.980475\nLi Nd P O\n2 2 8 24\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.218405 0.250000 0.750000 Nd\n0.781595 0.750000 0.250000 Nd\n0.436294 0.161687 0.102349 P\n0.700330 0.338313 0.397651 P\n0.563706 0.838312 0.897651 P\n0.299670 0.661687 0.602349 P\n0.325515 0.410730 0.286681 P\n0.022926 0.089270 0.213319 P\n0.674485 0.589269 0.713319 P\n0.977074 0.910730 0.786681 P\n0.999922 0.203966 0.043477 O\n0.240480 0.085461 0.238047 O\n0.563988 0.414539 0.261953 O\n0.156793 0.551266 0.655678 O\n0.363737 0.948733 0.844323 O\n0.843207 0.448733 0.344322 O\n0.636263 0.051266 0.155678 O\n0.156607 0.841413 0.634521 O\n0.632541 0.658586 0.865479 O\n0.000078 0.796033 0.956523 O\n0.367459 0.341413 0.134521 O\n0.436280 0.196781 0.926701 O\n0.559762 0.303218 0.573299 O\n0.563720 0.803218 0.073300 O\n0.440238 0.696781 0.426701 O\n0.436012 0.585461 0.738047 O\n0.759520 0.914538 0.761953 O\n0.171512 0.582078 0.262520 O\n0.016111 0.917921 0.237480 O\n0.828488 0.417921 0.737480 O\n-0.016111 0.082078 0.762520 O\n0.247365 0.296034 0.456523 O\n0.752635 0.703965 0.543477 O\n0.843393 0.158586 0.365479 O\n",
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"formula_full": "Li2 Nd2 P8 O24",
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{
"id": "jvasp-35708",
"created_at": "2022-09-04T14:37:19.925322Z",
"updated_at": "2022-09-04T14:37:19.925351Z",
"structure_string": "Hf2 Ir2\n1.0\n3.050186 0.000000 0.000000\n0.000000 4.691990 -0.000000\n0.000000 0.000000 4.902953\nHf Ir\n2 2\ndirect\n0.500001 0.250000 0.269179 Hf\n0.500001 0.750000 0.730821 Hf\n0.000000 0.750000 0.211977 Ir\n0.000000 0.250000 0.788022 Ir\n",
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{
"id": "jvasp-15299",
"created_at": "2022-09-04T14:37:01.873245Z",
"updated_at": "2022-09-04T14:37:01.873267Z",
"structure_string": "Y1 Si2 Pt2\n1.0\n3.938268 -0.000000 -1.537246\n-0.600042 3.892287 -1.537246\n-0.028002 -0.032650 5.741605\nY Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.619526 0.619526 0.239050 Si\n0.380475 0.380474 0.760950 Si\n0.250001 0.750000 0.500000 Pt\n0.750001 0.250000 0.500000 Pt\n",
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{
"id": "jvasp-48198",
"created_at": "2022-09-04T14:35:43.716772Z",
"updated_at": "2022-09-04T14:35:43.716789Z",
"structure_string": "Li4 Mn1 Sb2 W1 O12\n1.0\n-5.071118 0.001100 0.000752\n0.001141 -5.403141 -0.039549\n0.007487 0.582313 7.391134\nLi Mn Sb W O\n4 1 2 1 12\ndirect\n0.996971 0.444290 0.300323 Li\n0.499500 0.910546 0.772043 Li\n0.002088 0.565273 0.707722 Li\n0.498904 0.896710 0.309095 Li\n0.501485 0.492204 0.499035 Mn\n0.003460 0.006377 0.506325 Sb\n0.499828 0.486273 -0.001085 Sb\n-0.000801 -0.001514 0.006860 W\n0.683154 0.166922 0.929207 O\n0.816777 0.328896 0.554535 O\n0.166905 0.314434 0.066728 O\n0.630226 0.516663 0.251711 O\n0.372765 0.516528 0.746518 O\n0.132689 -0.002006 0.760455 O\n0.199714 0.691787 0.435534 O\n0.311161 0.820648 0.062049 O\n0.866435 0.005479 0.245129 O\n0.315342 0.197995 0.427195 O\n0.817075 0.690250 0.931724 O\n0.686323 0.809849 0.560083 O\n",
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{
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"structure_string": "Y4 Si4 O14\n1.0\n0.000000 5.103930 0.003086\n8.078706 0.000000 0.000000\n0.000000 -2.189653 -7.076544\nY Si O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.499999 Y\n0.500000 0.500000 0.499999 Y\n0.473135 0.250000 0.893487 Si\n0.100992 0.750000 0.681313 Si\n0.526865 0.750000 0.106512 Si\n0.899008 0.250000 0.318686 Si\n0.465470 0.578536 0.202162 O\n0.921849 0.581158 0.669668 O\n0.534530 0.078536 0.797837 O\n0.817774 0.750000 0.057381 O\n0.319350 0.750000 0.559517 O\n0.921849 0.918843 0.669668 O\n0.078152 0.418843 0.330331 O\n0.465470 0.921464 0.202162 O\n0.680650 0.250000 0.440482 O\n0.078152 0.081157 0.330331 O\n0.182226 0.250000 0.942617 O\n0.742511 0.250000 0.085776 O\n0.257489 0.750000 0.914223 O\n0.534530 0.421464 0.797837 O\n",
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{
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"created_at": "2022-09-04T14:37:03.692920Z",
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"structure_string": "Mn3 Zn1\n1.0\n-1.748093 1.748093 3.798417\n1.748093 -1.748093 3.798417\n1.748093 1.748093 -3.798417\nMn Zn\n3 1\ndirect\n0.749999 0.250001 0.499999 Mn\n0.250001 0.749999 0.499999 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Zn\n",
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}