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{
"id": "jvasp-117418",
"created_at": "2022-09-04T14:38:26.549355Z",
"updated_at": "2022-09-04T14:38:26.549385Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n4.928550 -0.210895 -2.904454\n-1.647691 4.643355 -2.914670\n0.065844 0.210895 5.720325\nLi V Co O\n2 2 2 8\ndirect\n0.372226 0.122226 0.250000 Li\n0.627773 0.877773 0.750000 Li\n-0.000000 0.500000 0.500000 V\n0.500000 0.499999 -0.000000 V\n-0.000000 0.499999 -0.000000 Co\n-0.000000 0.000000 0.500001 Co\n0.212083 0.738657 0.473426 O\n0.765230 0.738656 0.026574 O\n0.758930 0.735400 0.476470 O\n0.758931 0.282461 0.023530 O\n0.241068 0.717538 0.976471 O\n0.241069 0.264599 0.523530 O\n0.234769 0.261343 0.973427 O\n0.787916 0.261342 0.526574 O\n",
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"structure_string": "Sr6 Sn4 S14\n1.0\n4.009073 -0.000000 0.000000\n0.000000 11.522635 0.000000\n-0.000000 -0.000000 12.808981\nSr Sn S\n6 4 14\ndirect\n0.500000 0.115269 0.150647 Sr\n0.500000 0.884730 0.849353 Sr\n0.500000 0.384731 0.650647 Sr\n0.500000 0.615269 0.349353 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.282694 0.394115 Sn\n-0.000000 0.717306 0.605885 Sn\n-0.000000 0.217306 0.894115 Sn\n-0.000000 0.782694 0.105885 Sn\n-0.000000 0.797484 0.430455 S\n-0.000000 0.202515 0.569545 S\n-0.000000 0.702515 0.930455 S\n-0.000000 0.297484 0.069545 S\n-0.000000 0.580739 0.176708 S\n-0.000000 0.419260 0.823292 S\n0.500000 0.647338 0.706551 S\n-0.000000 0.080740 0.323292 S\n0.500000 0.852662 0.206551 S\n0.500000 0.147338 0.793449 S\n0.000000 0.000000 0.000000 S\n0.500000 0.352662 0.293449 S\n-0.000000 0.919260 0.676708 S\n-0.000000 0.500000 0.500000 S\n",
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{
"id": "jvasp-112273",
"created_at": "2022-09-04T14:38:26.536223Z",
"updated_at": "2022-09-04T14:38:26.536245Z",
"structure_string": "B2 H2 Pb4 O8\n1.0\n6.451281 0.021736 2.871472\n3.917867 5.125409 2.871472\n0.018578 0.009222 7.385748\nB H Pb O\n2 2 4 8\ndirect\n0.329002 0.329002 0.655519 B\n0.670998 0.670999 0.344480 B\n0.460182 0.460182 0.377458 H\n0.539818 0.539818 0.622541 H\n0.052736 0.052735 0.731536 Pb\n0.947264 0.947265 0.268463 Pb\n0.658865 0.658865 0.920624 Pb\n0.341136 0.341136 0.079376 Pb\n0.408136 0.408136 0.732307 O\n0.591864 0.591864 0.267692 O\n0.371012 0.371012 0.442980 O\n0.628989 0.628989 0.557019 O\n0.213097 0.213096 0.781691 O\n0.786904 0.786904 0.218309 O\n0.744810 0.255190 -0.000000 O\n0.255190 0.744811 -0.000000 O\n",
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"elements": [
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"chemical_system": "B-H-O-Pb",
"density": 6.693041071798978,
"density_atomic": 0.06577735701984068,
"volume": 243.244799196992,
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-117427",
"created_at": "2022-09-04T14:38:26.535229Z",
"updated_at": "2022-09-04T14:38:26.535250Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.266902 -0.008390 -2.246986\n-2.612193 8.709285 -0.184806\n-0.100421 0.037295 5.202057\nLi Mn B O\n2 4 4 12\ndirect\n0.674340 0.189478 0.254120 Li\n0.325659 0.810522 0.745880 Li\n0.744371 0.398851 0.759840 Mn\n0.751895 0.870240 0.277613 Mn\n0.248103 0.129760 0.722386 Mn\n0.255629 0.601146 0.240160 Mn\n0.744720 0.053602 0.780268 B\n0.742223 0.530531 0.274335 B\n0.257778 0.469470 0.725665 B\n0.255280 0.946398 0.219731 B\n0.281120 0.606896 0.622373 O\n0.332932 0.825571 0.141082 O\n0.358085 0.357831 0.661934 O\n0.705431 0.918280 0.887478 O\n0.294569 0.081720 0.112521 O\n0.839327 0.070510 0.566349 O\n0.667067 0.174429 0.858917 O\n0.718882 0.393104 0.377625 O\n0.862281 0.559850 0.087177 O\n0.137726 0.440154 0.912829 O\n0.641911 0.642167 0.338063 O\n0.160672 0.929490 0.433650 O\n",
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{
"id": "jvasp-117706",
"created_at": "2022-09-04T14:38:26.535190Z",
"updated_at": "2022-09-04T14:38:26.535218Z",
"structure_string": "Zr1 Ag1 F2\n1.0\n3.129768 0.000000 0.000000\n0.000000 3.129768 -0.000000\n0.000000 -0.000000 5.985574\nZr Ag F\n1 1 2\ndirect\n0.500000 0.500000 0.526559 Zr\n0.000000 0.000000 0.886925 Ag\n0.000000 0.000000 0.404856 F\n0.500000 0.500000 0.191659 F\n",
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{
"id": "jvasp-117417",
"created_at": "2022-09-04T14:38:26.534813Z",
"updated_at": "2022-09-04T14:38:26.534840Z",
"structure_string": "Mg3 Fe3 O8\n1.0\n5.082674 -0.007461 2.948195\n1.694643 4.791849 2.948195\n-0.010569 -0.007461 5.875824\nMg Fe O\n3 3 8\ndirect\n-0.000000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.000001 Mg\n0.500000 0.000000 0.000001 Mg\n0.368856 0.368857 0.368857 Fe\n0.631143 0.631144 0.631145 Fe\n0.000000 0.000000 0.000000 Fe\n0.230287 0.768018 0.768018 O\n0.757814 0.757816 0.757816 O\n0.768017 0.768018 0.230289 O\n0.768017 0.230288 0.768018 O\n0.231982 0.231982 0.769712 O\n0.231981 0.769713 0.231983 O\n0.769712 0.231982 0.231983 O\n0.242184 0.242185 0.242185 O\n",
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{
"id": "jvasp-117402",
"created_at": "2022-09-04T14:38:26.534336Z",
"updated_at": "2022-09-04T14:38:26.534371Z",
"structure_string": "Na2 Mn4 O8\n1.0\n5.951856 -0.001168 0.000950\n-2.975589 4.203129 2.975921\n-0.001006 -0.000119 5.952607\nNa Mn O\n2 4 8\ndirect\n0.000027 0.000043 -0.000019 Na\n0.749977 0.499961 0.750017 Na\n0.374998 0.249999 0.375003 Mn\n0.875001 0.249996 0.375002 Mn\n0.375002 0.750001 0.374998 Mn\n0.375001 0.750002 0.875001 Mn\n0.144512 0.289026 0.145018 O\n0.605484 0.210971 0.184042 O\n0.565965 0.710969 0.144517 O\n0.144998 0.710966 0.144516 O\n0.605486 0.210970 0.604986 O\n0.144515 0.289026 0.565956 O\n0.605001 0.789037 0.605483 O\n0.184032 0.789030 0.605484 O\n",
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{
"id": "jvasp-117692",
"created_at": "2022-09-04T14:38:26.527830Z",
"updated_at": "2022-09-04T14:38:26.527857Z",
"structure_string": "Be1 Nb1 Os1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.948532\nBe Nb Os\n1 1 1\ndirect\n0.000000 0.000000 0.252080 Be\n0.000000 0.000000 0.013388 Nb\n0.000000 0.000000 0.796215 Os\n",
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{
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"created_at": "2022-09-04T14:38:26.526449Z",
"updated_at": "2022-09-04T14:38:26.526466Z",
"structure_string": "Li4 Fe3 Co5 O16\n1.0\n2.827528 -0.000000 0.000000\n0.000000 4.985780 0.362693\n-0.000000 0.073143 18.357775\nLi Fe Co O\n4 3 5 16\ndirect\n-0.000000 0.249795 0.746637 Li\n-0.000000 0.500000 -0.000000 Li\n-0.000000 0.750204 0.253363 Li\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.877098 0.875613 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.122902 0.124387 Fe\n0.500000 0.751905 0.750034 Co\n-0.000000 0.626736 0.624876 Co\n0.500000 0.500000 0.500000 Co\n-0.000000 0.373264 0.375123 Co\n0.500000 0.248094 0.249966 Co\n-0.000000 0.149793 0.942200 O\n-0.000000 0.897176 0.691737 O\n0.500000 0.971257 0.184456 O\n0.500000 0.028742 0.815543 O\n0.500000 0.776441 0.564703 O\n-0.000000 0.850206 0.057799 O\n-0.000000 0.644873 0.441577 O\n-0.000000 0.390700 0.190865 O\n0.500000 0.476239 0.685386 O\n0.500000 0.523761 0.314614 O\n-0.000000 0.609300 0.809134 O\n-0.000000 0.355126 0.558423 O\n-0.000000 0.102824 0.308263 O\n0.500000 0.279719 0.064375 O\n0.500000 0.720281 0.935625 O\n0.500000 0.223558 0.435297 O\n",
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{
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"structure_string": "Be1 Pd1 Se1\n1.0\n3.453238 0.198997 0.000000\n-0.306304 5.319205 0.000000\n0.000000 0.000000 2.951176\nBe Pd Se\n1 1 1\ndirect\n0.413773 0.098718 0.000000 Be\n-0.086200 -0.172173 0.000000 Pd\n-0.086235 0.345483 0.000000 Se\n",
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{
"id": "jvasp-117314",
"created_at": "2022-09-04T14:38:26.525036Z",
"updated_at": "2022-09-04T14:38:26.525073Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.728980 0.018558 -1.551593\n-0.406553 5.547622 -1.137425\n-0.094578 0.077562 7.480357\nLi Mn Co O\n7 2 3 12\ndirect\n0.506996 0.268264 0.005947 Li\n0.512666 0.424888 0.675888 Li\n0.502529 0.731421 0.001562 Li\n0.506219 0.913606 0.667372 Li\n0.488191 0.080972 0.329089 Li\n0.485619 0.580501 0.320560 Li\n-0.001914 0.501597 0.003059 Li\n0.001985 -0.002943 0.003595 Mn\n0.002703 0.173712 0.669343 Mn\n0.001426 0.667779 0.668980 Co\n0.997005 0.829657 0.329868 Co\n0.997421 0.334035 0.331032 Co\n0.227092 0.277870 0.165697 O\n0.778665 0.042522 0.171143 O\n0.773594 0.195155 0.829857 O\n0.769003 0.544094 0.183560 O\n0.771192 0.722287 0.834915 O\n0.782232 0.879051 0.506794 O\n0.780126 0.378169 0.509456 O\n0.232798 0.451333 0.815245 O\n0.210943 0.622857 0.489866 O\n0.223921 0.959707 0.828744 O\n0.220041 0.120746 0.493766 O\n0.229547 0.802713 0.164679 O\n",
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{
"id": "jvasp-117408",
"created_at": "2022-09-04T14:38:26.524843Z",
"updated_at": "2022-09-04T14:38:26.524872Z",
"structure_string": "Li1 Ni1 P2 O7\n1.0\n5.083834 -0.006608 0.780330\n-1.198307 4.940595 0.780330\n0.021517 0.027324 4.433638\nLi Ni P O\n1 1 2 7\ndirect\n0.492815 0.507184 0.000000 Li\n0.122085 0.877913 0.000000 Ni\n0.573957 0.010294 0.407283 P\n0.989705 0.426042 0.592718 P\n0.423942 0.819974 0.719268 O\n0.395940 0.110356 0.189018 O\n0.782513 0.873049 0.263324 O\n0.126950 0.217485 0.736677 O\n0.180024 0.576056 0.280733 O\n0.709908 0.290090 0.500000 O\n0.889643 0.604059 0.810983 O\n",
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]
}