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{
"id": "oqmd-824945",
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"updated_at": "2022-09-04T15:22:27.636150Z",
"structure_string": "Li1 P3 Se5\n1.0\n7.026554 0.006709 -0.004258\n-2.074637 6.642431 -0.018334\n-2.486294 -2.973269 6.098433\nLi P Se\n1 3 5\ndirect\n0.799309 0.319255 0.484665 Li\n0.034524 0.617969 0.234529 P\n0.295551 0.502796 0.378075 P\n0.867666 0.265558 0.972647 P\n0.225852 0.312661 0.026206 Se\n0.754981 0.017094 0.109488 Se\n0.842648 0.657655 0.414434 Se\n0.111343 0.203768 0.437903 Se\n0.581769 0.145008 0.657353 Se\n",
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{
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"structure_string": "Fe1 Se1 O4\n1.0\n3.388113 0.024957 0.003243\n0.147195 4.637323 0.013156\n0.137471 1.251710 5.063164\nFe O Se\n1 4 1\ndirect\n0.143160 0.395219 0.253307 Fe\n0.129660 0.038061 0.125303 O\n0.624330 0.514090 0.296495 O\n0.081881 0.146425 0.600369 O\n0.157247 0.613344 0.889703 O\n0.382138 0.956595 0.854635 Se\n",
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{
"id": "oqmd-824944",
"created_at": "2022-09-04T15:22:27.701920Z",
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"structure_string": "Li1 P3 Se5\n1.0\n6.416724 0.005085 -0.014227\n1.479278 7.041967 -0.003783\n1.030863 2.157962 6.840503\nLi P Se\n1 3 5\ndirect\n0.699439 0.820942 0.822247 Li\n0.463675 0.073516 0.203195 P\n0.429746 0.277941 0.894986 P\n0.766607 0.298189 0.916686 P\n0.732314 0.811802 0.177928 Se\n0.658035 0.291974 0.238480 Se\n0.408625 0.110384 0.691460 Se\n0.912990 0.531700 0.712068 Se\n0.992324 0.990060 0.941583 Se\n",
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"density_atomic": 0.02911149837408151,
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"formula_full": "Li1 P3 Se5",
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"spacegroup": 1
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{
"id": "oqmd-824938",
"created_at": "2022-09-04T15:22:28.183375Z",
"updated_at": "2022-09-04T15:22:28.183396Z",
"structure_string": "Li1 P3 O5\n1.0\n4.588881 -0.036547 0.199750\n-1.286994 4.796795 0.074168\n-0.113435 -0.459305 5.885307\nLi O P\n1 5 3\ndirect\n0.773996 0.389927 0.313135 Li\n0.581903 0.346645 0.038991 O\n0.589340 0.620365 0.487623 O\n0.979617 0.221980 0.500016 O\n0.329682 0.966353 0.656755 O\n0.814821 0.915265 0.840265 O\n0.508917 0.740138 0.708461 P\n0.085707 0.141755 0.715209 P\n0.306266 0.457228 0.996687 P\n",
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"density_atomic": 0.06941579324961744,
"volume": 129.65349207544494,
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"formula_full": "Li1 P3 O5",
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{
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"created_at": "2022-09-04T15:22:27.780831Z",
"updated_at": "2022-09-04T15:22:27.780851Z",
"structure_string": "Li1 P1 Se3\n1.0\n4.852538 0.007006 -0.007873\n0.277405 5.033313 -0.010829\n0.417831 0.370731 5.561888\nLi P Se\n1 1 3\ndirect\n0.464323 0.842162 0.003861 Li\n0.861516 0.864253 0.526843 P\n0.217552 0.128705 0.342408 Se\n0.533592 0.203542 0.632989 Se\n0.978283 0.714541 0.890805 Se\n",
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"elements": [
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"density": 3.358415804675244,
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"volume": 135.8698458251728,
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"formula_full": "Li1 P1 Se3",
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{
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"created_at": "2022-09-04T15:22:28.007783Z",
"updated_at": "2022-09-04T15:22:28.007815Z",
"structure_string": "Li1 P3 O5\n1.0\n4.356263 -0.098801 0.007048\n-0.967199 5.151605 -0.001848\n-0.888536 -0.909133 5.911942\nLi O P\n1 5 3\ndirect\n0.001070 0.519076 0.327698 Li\n0.945395 0.697651 0.066541 O\n0.023159 0.179683 0.282565 O\n0.363965 0.864030 0.397205 O\n0.039980 0.664178 0.656026 O\n0.628966 0.886309 0.788997 O\n0.225502 0.012366 0.177490 P\n0.312851 0.957910 0.660401 P\n0.755276 0.608987 0.810319 P\n",
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"elements": [
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"density": 2.260198405555941,
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"volume": 132.1403334148093,
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"formula_full": "Li1 P3 O5",
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{
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"created_at": "2022-09-04T15:22:28.024823Z",
"updated_at": "2022-09-04T15:22:28.024856Z",
"structure_string": "Li1 P3 O5\n1.0\n4.126743 -0.034020 -0.013768\n-0.662343 4.686637 -0.061632\n-1.659026 -2.007753 5.722675\nLi O P\n1 5 3\ndirect\n0.507315 0.784641 0.208994 Li\n0.628283 0.031380 0.034249 O\n0.888484 0.600882 0.304495 O\n0.213324 0.188845 0.335879 O\n0.697145 0.081314 0.569847 O\n0.121011 0.363017 0.984957 O\n0.934104 0.300518 0.169454 P\n0.451237 0.326283 0.619887 P\n0.068250 0.043284 0.743351 P\n",
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"elements": [
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"formula_full": "Li1 P3 O5",
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{
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"created_at": "2022-09-04T15:22:28.128474Z",
"updated_at": "2022-09-04T15:22:28.128504Z",
"structure_string": "Li1 P3 O5\n1.0\n4.933288 0.041703 0.015518\n2.715695 4.999943 -0.184117\n2.903555 -1.465684 5.525782\nLi O P\n1 5 3\ndirect\n0.951917 0.748489 0.925391 Li\n0.607013 0.755240 0.210879 O\n0.597966 0.309383 0.307537 O\n0.014948 0.431742 0.687242 O\n0.473906 0.436098 0.734652 O\n0.952590 0.020559 0.782597 O\n0.389224 0.624431 0.239331 P\n0.480098 0.208150 0.544604 P\n0.740158 0.333590 0.839551 P\n",
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"formula_full": "Li1 P3 O5",
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{
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"created_at": "2022-09-04T15:22:28.222612Z",
"updated_at": "2022-09-04T15:22:28.222630Z",
"structure_string": "Mg5 C4 S1\n1.0\n3.952242 -0.000637 -0.001665\n0.271913 6.562701 -0.001844\n1.241711 3.143370 5.886218\nC Mg S\n4 5 1\ndirect\n0.763948 0.109992 0.072314 C\n0.118950 0.760628 0.585979 C\n0.570944 0.156652 0.696996 C\n0.659736 0.144365 0.882596 C\n0.221688 0.935416 0.208377 Mg\n0.641110 0.927392 0.504672 Mg\n0.317405 0.476339 0.527695 Mg\n0.081663 0.944072 0.789331 Mg\n0.860930 0.486678 0.940922 Mg\n0.294943 0.588010 0.127247 S\n",
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"elements": [
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"density": 2.1925281758767188,
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"structure_string": "Li1 P3 O5\n1.0\n4.155813 0.011378 -0.012149\n-0.929580 5.113790 0.097372\n-1.407718 -2.488624 5.569856\nLi O P\n1 5 3\ndirect\n0.601241 0.929384 0.049078 Li\n0.917698 0.314435 0.173280 O\n0.429129 0.979285 0.315026 O\n0.830327 0.737322 0.487722 O\n0.571882 0.052578 0.759299 O\n0.725999 0.603287 0.917786 O\n0.048898 0.494652 0.456037 P\n0.495752 0.843885 0.492807 P\n0.920110 0.383560 0.912148 P\n",
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{
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"created_at": "2022-09-04T15:22:28.512574Z",
"updated_at": "2022-09-04T15:22:28.512606Z",
"structure_string": "Li6 Co4 O11\n1.0\n-4.838671 -8.398915 -0.023923\n-2.423343 4.201735 -0.002139\n1.630386 -0.005788 -4.681006\nCo Li O\n4 6 11\ndirect\n0.921216 0.178398 0.000951 Co\n0.077711 0.833071 0.003008 Co\n0.405923 0.135805 0.986532 Co\n0.590253 0.841298 0.996157 Co\n0.754397 0.494836 0.002690 Li\n0.167113 0.654448 0.497464 Li\n0.007592 0.001361 0.500879 Li\n0.699005 0.668465 0.504673 Li\n0.503535 0.043786 0.527004 Li\n0.236679 0.485463 0.974347 Li\n0.779227 0.921994 0.216220 O\n0.289285 0.933444 0.219703 O\n0.595824 0.197777 0.221254 O\n0.105196 0.228572 0.223536 O\n0.968616 0.591386 0.225379 O\n0.391481 0.757862 0.762221 O\n0.707035 0.055089 0.766467 O\n0.029897 0.421385 0.780339 O\n0.894797 0.790206 0.781196 O\n0.212102 0.070659 0.783471 O\n0.531297 0.426939 0.804437 O\n",
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{
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"created_at": "2022-09-04T15:22:28.757963Z",
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"structure_string": "Fe2 Se1 O6\n1.0\n5.142573 -0.077305 -0.118021\n1.951761 4.800350 0.081253\n1.289841 -0.002686 5.693835\nFe O Se\n2 6 1\ndirect\n0.114644 0.789710 0.644438 Fe\n0.734005 0.410010 0.724728 Fe\n0.763498 0.520858 0.028425 O\n0.372286 0.781603 0.371208 O\n0.706033 0.256708 0.442420 O\n0.956560 0.595666 0.538401 O\n0.337754 0.579651 0.828625 O\n0.898641 0.043476 0.837224 O\n0.507230 0.453345 0.239009 Se\n",
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}