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{
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{
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{
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{
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"structure_string": "Si24 O48\n1.0\n10.789791 -0.000000 0.000000\n0.000000 10.789791 0.000000\n0.000000 0.000000 10.789791\nSi O\n24 48\ndirect\n0.250000 0.136761 0.363239 Si\n0.636761 0.250000 0.136761 Si\n0.250000 0.863239 0.363239 Si\n0.363239 0.750000 0.136761 Si\n0.863239 0.636761 0.750000 Si\n0.750000 0.863239 0.636761 Si\n0.750000 0.136761 0.363239 Si\n0.636761 0.750000 0.136761 Si\n0.250000 0.863239 0.636761 Si\n0.136761 0.636761 0.250000 Si\n0.750000 0.136761 0.636761 Si\n0.750000 0.863239 0.363239 Si\n0.636761 0.750000 0.863239 Si\n0.136761 0.636761 0.750000 Si\n0.863239 0.363239 0.750000 Si\n0.363239 0.250000 0.136761 Si\n0.636761 0.250000 0.863239 Si\n0.363239 0.250000 0.863239 Si\n0.136761 0.363239 0.250000 Si\n0.250000 0.136761 0.636761 Si\n0.363239 0.750000 0.863239 Si\n0.863239 0.363239 0.250000 Si\n0.136761 0.363239 0.750000 Si\n0.863239 0.636761 0.250000 Si\n0.000000 0.647524 0.184446 O\n0.315554 0.852476 0.500000 O\n0.750000 0.649970 0.149970 O\n0.149970 0.750000 0.649970 O\n0.647524 0.184446 0.000000 O\n0.750000 0.350029 0.850030 O\n0.147524 0.500000 0.684446 O\n0.684446 0.147524 0.500000 O\n0.647524 0.815554 0.000000 O\n0.149970 0.250000 0.350029 O\n0.649970 0.850030 0.750000 O\n0.250000 0.649970 0.149970 O\n0.149970 0.750000 0.350029 O\n0.750000 0.649970 0.850030 O\n0.184446 0.000000 0.647524 O\n0.250000 0.350029 0.850030 O\n0.815554 0.000000 0.647524 O\n0.852476 0.500000 0.684446 O\n0.147524 0.500000 0.315554 O\n0.149970 0.250000 0.649970 O\n0.500000 0.684446 0.147524 O\n0.815554 0.000000 0.352476 O\n0.684446 0.852476 0.500000 O\n0.350029 0.850030 0.250000 O\n0.850030 0.250000 0.649970 O\n0.350029 0.149970 0.750000 O\n0.850030 0.750000 0.350029 O\n0.649970 0.149970 0.750000 O\n0.500000 0.315554 0.147524 O\n0.350029 0.149970 0.250000 O\n0.000000 0.352476 0.815554 O\n0.000000 0.647524 0.815554 O\n0.500000 0.684446 0.852476 O\n0.750000 0.350029 0.149970 O\n0.649970 0.149970 0.250000 O\n0.350029 0.850030 0.750000 O\n0.850030 0.250000 0.350029 O\n0.184446 0.000000 0.352476 O\n0.352476 0.815554 0.000000 O\n0.250000 0.649970 0.850030 O\n0.315554 0.147524 0.500000 O\n0.000000 0.352476 0.184446 O\n0.649970 0.850030 0.250000 O\n0.852476 0.500000 0.315554 O\n0.352476 0.184446 0.000000 O\n0.500000 0.315554 0.852476 O\n0.850030 0.750000 0.649970 O\n0.250000 0.350029 0.149970 O\n",
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{
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"structure_string": "Si6 O12\n1.0\n3.684019 -6.380908 -0.000000\n3.684019 6.380908 0.000000\n0.000000 0.000000 7.072515\nSi O\n6 12\ndirect\n0.766943 0.533885 0.250000 Si\n0.233057 0.466116 0.750000 Si\n0.766943 0.233057 0.583333 Si\n0.533885 0.766943 0.416667 Si\n0.233057 0.766943 0.083333 Si\n0.466116 0.233057 0.916666 Si\n0.612396 0.387604 0.083333 O\n0.683061 -0.000000 0.500000 O\n0.316939 0.316939 0.833332 O\n0.612396 0.224793 0.750000 O\n0.387604 0.612396 0.583333 O\n0.387604 0.775207 0.250000 O\n-0.000000 0.683061 0.166667 O\n0.775207 0.387604 0.416667 O\n0.316939 -0.000000 0.000000 O\n0.224793 0.612396 0.916666 O\n-0.000000 0.316939 0.666667 O\n0.683061 0.683061 0.333333 O\n",
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{
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"structure_string": "Si16 O32\n1.0\n8.494149 0.000003 -3.447558\n-1.399221 8.378276 -3.447593\n0.026904 0.031718 12.254574\nSi O\n16 32\ndirect\n0.764673 0.508156 0.866891 Si\n0.897789 0.491852 0.133108 Si\n0.858735 0.102210 0.366890 Si\n0.897783 0.141266 0.133107 Si\n0.141264 0.897790 0.633110 Si\n0.764673 0.858738 0.866895 Si\n0.235327 0.491844 0.133108 Si\n0.491849 0.235323 0.633111 Si\n0.858739 0.764677 0.366892 Si\n0.102211 0.508149 0.866891 Si\n0.102217 0.858734 0.866893 Si\n0.508150 0.764677 0.366889 Si\n0.235327 0.141263 0.133105 Si\n0.141261 0.235324 0.633107 Si\n0.508143 0.102204 0.366889 Si\n0.491857 0.897796 0.633111 Si\n0.147740 0.852260 0.750000 O\n0.397754 0.602245 0.250002 O\n0.308944 0.237928 0.617887 O\n0.120044 0.691051 0.882109 O\n0.500004 0.775415 0.500001 O\n0.308951 0.879972 0.617894 O\n0.879955 0.308950 0.117891 O\n0.000005 0.775399 0.499999 O\n0.762062 0.691059 0.882119 O\n0.691049 0.120029 0.382106 O\n0.602246 0.397756 0.749998 O\n-0.000005 0.224602 0.500001 O\n0.397744 0.147752 0.250004 O\n0.499996 0.224585 0.499999 O\n0.224610 -0.000006 0.000002 O\n0.147748 0.397744 0.750001 O\n0.691055 0.762072 0.382113 O\n0.892361 0.918857 0.337719 O\n0.224597 0.499998 0.000000 O\n0.775390 0.000006 -0.000002 O\n0.081140 0.107645 0.162275 O\n0.852252 0.602256 0.249998 O\n0.918860 0.892355 0.837725 O\n0.554666 0.081154 0.662297 O\n0.852259 0.147740 0.250000 O\n0.081149 0.554651 0.162288 O\n0.237937 0.308941 0.117880 O\n0.107638 0.081143 0.662281 O\n0.918850 0.445349 0.837712 O\n0.445334 0.918846 0.337703 O\n0.602255 0.852248 0.749996 O\n0.775404 0.500002 -0.000000 O\n",
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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:37:12.664030Z",
"updated_at": "2022-09-04T14:37:12.664050Z",
"structure_string": "Si3 O6\n1.0\n2.550873 -4.418242 -0.000000\n2.550873 4.418242 -0.000000\n-0.000000 -0.000000 5.594974\nSi O\n3 6\ndirect\n-0.000000 0.500000 0.833332 Si\n0.500000 -0.000000 0.500000 Si\n0.499999 0.499999 0.166667 Si\n0.584077 0.792037 0.333333 O\n0.792037 0.207961 0.666666 O\n0.792037 0.584077 0.000000 O\n0.415922 0.207961 0.333333 O\n0.207961 0.792037 0.666666 O\n0.207961 0.415922 0.000000 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.373367292107579,
"density_atomic": 0.07136349385708654,
"volume": 126.11490152126684,
"volume_molar": 8.4386854321623,
"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3907418666666669,
"spacegroup": 181
}
]
}