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{
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{
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"updated_at": "2022-09-04T14:38:08.930301Z",
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{
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"created_at": "2022-09-04T14:38:10.458774Z",
"updated_at": "2022-09-04T14:38:10.458794Z",
"structure_string": "Dy8 Br16\n1.0\n6.635577 0.000000 0.000000\n0.000000 7.608541 0.000000\n0.000000 0.000000 12.858046\nDy Br\n8 16\ndirect\n0.675083 0.048668 0.096296 Dy\n0.175083 0.951332 0.403704 Dy\n0.824918 0.548668 0.903704 Dy\n0.324917 0.451332 0.596297 Dy\n0.324917 0.951332 0.903704 Dy\n0.824918 0.048668 0.596297 Dy\n0.175083 0.451332 0.096296 Dy\n0.675083 0.548668 0.403704 Dy\n0.702930 0.380852 0.704888 Br\n0.202930 0.619148 0.795112 Br\n0.202930 0.119148 0.704888 Br\n0.702930 0.880852 0.795112 Br\n0.297070 0.619148 0.295112 Br\n0.797070 0.380852 0.204888 Br\n0.019538 0.296248 0.453570 Br\n0.980462 0.703752 0.546430 Br\n0.480462 0.796247 0.546430 Br\n0.980462 0.203752 0.953570 Br\n0.297070 0.119148 0.204888 Br\n0.480462 0.296248 0.953570 Br\n0.519538 0.203752 0.453570 Br\n0.019538 0.796247 0.046430 Br\n0.519538 0.703752 0.046430 Br\n0.797070 0.880852 0.295112 Br\n",
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{
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"created_at": "2022-09-04T14:38:10.926103Z",
"updated_at": "2022-09-04T14:38:10.926127Z",
"structure_string": "K16 O8\n1.0\n6.363450 -0.000000 0.000000\n0.000000 6.575013 0.000000\n0.000000 0.000000 12.773143\nK O\n16 8\ndirect\n0.999459 0.261123 0.020874 K\n0.000541 0.738876 0.979125 K\n0.500541 0.761123 0.979125 K\n0.143729 0.119511 0.795893 K\n0.643729 0.380489 0.795893 K\n0.643729 0.880489 0.704107 K\n0.000541 0.238877 0.520874 K\n0.500541 0.261123 0.520874 K\n0.143729 0.619511 0.704107 K\n0.999459 0.761123 0.479126 K\n0.856271 0.380489 0.295893 K\n0.356271 0.119511 0.295893 K\n0.356271 0.619511 0.204107 K\n0.856271 0.880489 0.204107 K\n0.499459 0.238877 0.020874 K\n0.499459 0.738876 0.479126 K\n0.264781 0.471169 0.885066 O\n0.235219 0.971168 0.114934 O\n0.735219 0.528831 0.114934 O\n0.735219 0.028831 0.385066 O\n0.235219 0.471169 0.385066 O\n0.264781 0.971168 0.614934 O\n0.764781 0.528831 0.614934 O\n0.764781 0.028831 0.885066 O\n",
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{
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"structure_string": "Sm8 I16\n1.0\n7.323935 -0.000000 0.000000\n0.000000 8.246333 0.000000\n0.000000 0.000000 13.984730\nSm I\n8 16\ndirect\n0.672595 0.550084 0.094830 Sm\n0.172595 0.949915 0.094830 Sm\n0.672595 0.050084 0.405170 Sm\n0.827404 0.550084 0.594830 Sm\n0.827404 0.050084 0.905170 Sm\n0.327405 0.449916 0.905170 Sm\n0.327405 0.949915 0.594830 Sm\n0.172595 0.449916 0.405170 Sm\n0.482700 0.795115 0.952696 I\n0.295392 0.114901 0.296405 I\n0.517300 0.704884 0.452696 I\n0.704608 0.385099 0.796405 I\n0.517300 0.204884 0.047304 I\n0.204608 0.114901 0.796405 I\n0.017300 0.795115 0.452696 I\n0.795391 0.885099 0.203595 I\n0.982699 0.704884 0.952696 I\n0.295392 0.614901 0.203595 I\n0.017300 0.295116 0.047304 I\n0.795391 0.385099 0.296405 I\n0.704608 0.885099 0.703595 I\n0.204608 0.614901 0.703595 I\n0.982699 0.204884 0.547304 I\n0.482700 0.295116 0.547304 I\n",
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{
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"created_at": "2022-09-04T14:38:32.715414Z",
"updated_at": "2022-09-04T14:38:32.715441Z",
"structure_string": "Si8 Te8 Pt8\n1.0\n6.243283 0.000000 0.000000\n0.000000 6.340318 0.000000\n0.000000 0.000000 12.674224\nSi Te Pt\n8 8 8\ndirect\n0.871719 0.331068 0.438708 Si\n0.371719 0.168932 0.561292 Si\n0.628281 0.668932 0.938708 Si\n0.371719 0.331068 0.061292 Si\n0.871719 0.168932 0.938708 Si\n0.628281 0.831069 0.438708 Si\n0.128281 0.668932 0.561292 Si\n0.128281 0.831069 0.061292 Si\n0.381881 0.918598 0.825134 Te\n0.118119 0.418598 0.825134 Te\n0.118119 0.081402 0.325134 Te\n0.618119 0.418598 0.674866 Te\n0.881881 0.581403 0.174866 Te\n0.381881 0.581403 0.325134 Te\n0.881881 0.918598 0.674866 Te\n0.618119 0.081402 0.174866 Te\n0.526589 0.314800 0.887314 Pt\n0.026589 0.185201 0.112685 Pt\n0.473411 0.814800 0.612685 Pt\n0.973411 0.685201 0.387315 Pt\n0.473411 0.685201 0.112685 Pt\n0.973411 0.814800 0.887314 Pt\n0.526589 0.185201 0.387315 Pt\n0.026589 0.314800 0.612685 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Si",
"Te",
"Pt"
],
"chemical_system": "Pt-Si-Te",
"density": 9.287855879004264,
"density_atomic": 0.04783720547078898,
"volume": 501.70154723304677,
"volume_molar": 12.588822237279985,
"formula_full": "Si8 Te8 Pt8",
"formula_reduced": "SiTePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8042692555555555,
"spacegroup": 61
},
{
"id": "jvasp-57607",
"created_at": "2022-09-04T14:38:34.468518Z",
"updated_at": "2022-09-04T14:38:34.468544Z",
"structure_string": "Sn8 O16\n1.0\n5.145063 0.000000 0.000000\n-0.000000 5.227541 0.000000\n0.000000 0.000000 10.128672\nSn O\n8 16\ndirect\n0.771077 0.469273 0.117958 Sn\n0.728922 0.469273 0.617958 Sn\n0.271077 0.030727 0.117958 Sn\n0.228923 0.530727 0.882042 Sn\n0.771077 0.969272 0.382042 Sn\n0.728922 0.969272 0.882042 Sn\n0.271077 0.530727 0.382042 Sn\n0.228923 0.030727 0.617958 Sn\n0.494575 0.259478 0.977257 O\n0.505425 0.740522 0.022743 O\n0.361677 0.371012 0.708531 O\n0.505425 0.240522 0.477257 O\n0.138323 0.871012 0.291469 O\n0.005425 0.259478 0.477257 O\n0.861677 0.128988 0.708531 O\n0.638322 0.128988 0.208531 O\n0.138323 0.371012 0.208531 O\n0.638322 0.628988 0.291469 O\n0.994574 0.740522 0.522743 O\n0.005425 0.759478 0.022743 O\n0.994574 0.240522 0.977257 O\n0.861677 0.628988 0.791469 O\n0.361677 0.871012 0.791469 O\n0.494575 0.759478 0.522743 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 7.349148858011123,
"density_atomic": 0.08809892104063742,
"volume": 272.42104348734887,
"volume_molar": 6.835657791112068,
"formula_full": "Sn8 O16",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9916462333333336,
"spacegroup": 61
}
]
}