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{
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{
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"structure_string": "K1 Sr1 Bi2 O6\n1.0\n5.199672 0.013239 -3.128916\n-1.655404 4.929138 -3.128916\n-0.009494 -0.013239 6.068494\nK Sr Bi O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 -0.000000 Sr\n0.750000 0.250000 0.499999 Bi\n0.250001 0.750000 0.500000 Bi\n0.452123 0.078700 -0.000000 O\n0.078700 0.452124 -0.000000 O\n0.547877 0.547877 0.626576 O\n0.921301 0.921301 0.373423 O\n0.500000 -0.000000 0.499999 O\n0.000001 0.500000 0.500000 O\n",
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{
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"structure_string": "K4 Sr2 Cd2 Sb4\n1.0\n4.955223 0.000000 0.000000\n0.000000 8.232352 0.000000\n0.000000 0.000000 9.894315\nK Sr Cd Sb\n4 2 2 4\ndirect\n0.500000 0.971595 0.423893 K\n0.000000 0.656951 0.336213 K\n0.500000 0.471596 0.576107 K\n0.000000 0.156951 0.663787 K\n0.000000 0.506786 0.953451 Sr\n0.000000 0.006787 0.046550 Sr\n0.500000 0.849840 0.822002 Cd\n0.500000 0.349840 0.177999 Cd\n0.000000 0.747701 0.680803 Sb\n0.500000 0.721605 0.110346 Sb\n0.000000 0.247701 0.319198 Sb\n0.500000 0.221605 0.889654 Sb\n",
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{
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"structure_string": "K2 Sr1 Nb6 Cl18\n1.0\n8.296865 -0.002553 5.939972\n3.051348 7.715389 5.939973\n-0.003757 -0.002553 10.203981\nK Sr Nb Cl\n2 1 6 18\ndirect\n0.221447 0.221447 0.221447 K\n0.778552 0.778554 0.778553 K\n0.499999 0.500000 0.500000 Sr\n0.148689 0.787658 0.925556 Nb\n0.074444 0.851310 0.212342 Nb\n0.851310 0.212343 0.074444 Nb\n0.212342 0.074444 0.851310 Nb\n0.787657 0.925556 0.148689 Nb\n0.925555 0.148691 0.787658 Nb\n0.841758 0.334278 0.512272 Cl\n0.337624 0.915445 0.076406 Cl\n0.575273 0.161815 0.263393 Cl\n0.334276 0.512273 0.841759 Cl\n0.915443 0.076407 0.337624 Cl\n0.424726 0.838186 0.736606 Cl\n0.161814 0.263394 0.575274 Cl\n0.736606 0.424727 0.838185 Cl\n0.263393 0.575274 0.161814 Cl\n0.158241 0.665723 0.487727 Cl\n0.662375 0.084556 0.923594 Cl\n0.512272 0.841760 0.334277 Cl\n0.923593 0.662376 0.084555 Cl\n0.076406 0.337625 0.915444 Cl\n0.084555 0.923594 0.662375 Cl\n0.487727 0.158241 0.665723 Cl\n0.838185 0.736607 0.424726 Cl\n0.665722 0.487728 0.158241 Cl\n",
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{
"id": "jvasp-24465",
"created_at": "2022-09-04T14:38:20.517446Z",
"updated_at": "2022-09-04T14:38:20.517461Z",
"structure_string": "K2 Sr1 P4 O12\n1.0\n6.391806 -0.004793 -3.526437\n-4.162752 5.991774 -0.247189\n-0.003329 0.004793 7.300063\nK Sr P O\n2 1 4 12\ndirect\n-0.000000 0.326845 0.326845 K\n-0.000000 0.673153 0.673154 K\n0.500000 0.750000 0.250000 Sr\n0.066989 0.879102 0.259744 P\n0.619358 0.740255 0.807244 P\n0.380643 0.187887 0.120898 P\n0.933011 0.192755 0.812112 P\n0.436938 0.025234 0.078127 O\n0.202104 0.769881 0.354928 O\n0.563062 0.641189 0.588294 O\n0.052894 0.411705 0.974766 O\n0.947106 0.921873 0.358811 O\n0.745274 0.006926 0.867467 O\n0.585046 0.432222 0.230118 O\n0.254726 0.122194 0.261652 O\n0.860542 0.738347 0.993073 O\n0.139457 0.132532 0.877805 O\n0.414954 0.645071 0.847175 O\n0.797896 0.152824 0.567777 O\n",
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"created_at": "2022-09-04T14:35:55.886373Z",
"updated_at": "2022-09-04T14:35:55.886400Z",
"structure_string": "K8 Sr2 Si6 O18\n1.0\n7.191958 -0.000039 0.000000\n-2.758847 6.641763 -0.000000\n0.000000 0.000000 11.064901\nK Sr Si O\n8 2 6 18\ndirect\n0.658296 0.234428 0.750000 K\n0.054465 0.945534 0.000000 K\n0.499938 0.500061 0.000000 K\n0.765572 0.341704 0.250000 K\n0.781755 0.773180 0.750000 K\n0.499938 0.500061 0.500000 K\n0.226819 0.218244 0.250000 K\n0.054465 0.945534 0.500000 K\n0.275815 0.744436 0.750000 Sr\n0.255563 0.724185 0.250000 Sr\n0.590105 0.019875 0.469341 Si\n0.189043 0.259512 0.750000 Si\n0.740488 0.810956 0.250000 Si\n0.980125 0.409895 0.969341 Si\n0.590105 0.019875 0.030659 Si\n0.980125 0.409895 0.530659 Si\n0.738004 0.261996 0.500000 O\n0.973958 0.602364 0.897148 O\n0.114054 0.446965 0.408800 O\n0.548105 0.597593 0.250000 O\n0.201987 0.041248 0.750000 O\n0.958752 0.798013 0.250000 O\n0.397636 0.026041 0.102852 O\n0.402406 0.451895 0.750000 O\n0.052326 0.269551 0.871366 O\n0.553034 0.885946 0.591200 O\n0.738004 0.261996 0.000000 O\n0.730448 0.947674 0.371366 O\n0.730448 0.947674 0.128634 O\n0.114054 0.446965 0.091200 O\n0.973958 0.602364 0.602852 O\n0.397636 0.026041 0.397148 O\n0.553034 0.885946 0.908800 O\n0.052326 0.269551 0.628634 O\n",
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{
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"structure_string": "K4 Sr1 U3 O12\n1.0\n7.138650 -0.000000 -2.523893\n-3.569325 6.182252 -2.523893\n-0.000000 -0.000000 7.571681\nK Sr U O\n4 1 3 12\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.723022 0.723021 0.000001 O\n0.723021 0.000000 0.723022 O\n0.500000 0.250000 0.750000 O\n0.276979 0.276978 0.000000 O\n0.000000 0.723021 0.723022 O\n0.500000 0.750000 0.250001 O\n0.750000 0.500000 0.250001 O\n0.250000 0.500000 0.750000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.000000 0.276978 0.276979 O\n0.276979 0.000000 0.276979 O\n",
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"created_at": "2022-09-04T14:38:46.218958Z",
"updated_at": "2022-09-04T14:38:46.218989Z",
"structure_string": "K4 Sr4 V4 O16\n1.0\n5.850017 -0.000000 0.000000\n0.000000 7.462465 0.000000\n-0.000000 -0.000000 9.967952\nK Sr V O\n4 4 4 16\ndirect\n0.484735 0.093534 0.577954 K\n0.515265 0.593534 0.922045 K\n0.015265 0.906465 0.077955 K\n0.984736 0.406465 0.422045 K\n0.978445 0.248897 0.801900 Sr\n0.478445 0.251103 0.198100 Sr\n0.521556 0.751103 0.301900 Sr\n0.021556 0.748896 0.698100 Sr\n0.514874 0.024572 0.915747 V\n0.985127 0.975428 0.415747 V\n0.014874 0.475428 0.084253 V\n0.485127 0.524572 0.584253 V\n0.431363 0.749365 0.563396 O\n0.239358 0.016977 0.330823 O\n0.492821 0.427698 0.425919 O\n0.007179 0.572302 0.925918 O\n0.756280 0.058628 0.325636 O\n0.992821 0.072302 0.574081 O\n0.260643 0.983022 0.830822 O\n0.243721 0.558628 0.174364 O\n0.568637 0.249365 0.936604 O\n0.743721 0.941371 0.825636 O\n0.068637 0.250635 0.063396 O\n0.256279 0.441371 0.674364 O\n0.739358 0.483022 0.669177 O\n0.507180 0.927697 0.074081 O\n0.760643 0.516977 0.169177 O\n0.931364 0.750634 0.436604 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Sr",
"V",
"O"
],
"chemical_system": "K-O-Sr-V",
"density": 3.6886191276827214,
"density_atomic": 0.06434468186460321,
"volume": 435.1563981452077,
"volume_molar": 9.359189579446586,
"formula_full": "K4 Sr4 V4 O16",
"formula_reduced": "KSrVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6276717871428574,
"spacegroup": 19
}
]
}