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{
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"structure_string": "Li2 Fe1 Co3 O8\n1.0\n5.610984 0.031944 -0.017683\n2.833155 4.907169 0.000000\n-0.033124 -3.252322 4.736071\nLi Fe Co O\n2 1 3 8\ndirect\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.237168 0.023950 0.788020 O\n0.271170 0.465925 0.203019 O\n0.237169 0.526902 0.788020 O\n0.733390 0.030255 0.793899 O\n0.266611 0.969745 0.206101 O\n0.762832 0.473098 0.211980 O\n0.728831 0.534075 0.796981 O\n0.762832 0.976050 0.211980 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:44.904642Z",
"structure_string": "Yb1 Mn4 Cu3 O12\n1.0\n5.871347 -0.000000 -2.075835\n-2.935673 5.084735 -2.075835\n-0.000000 -0.000000 6.227504\nYb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500000 0.500001 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000001 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Cu\n0.500001 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.178582 0.878069 0.699487 O\n0.300515 0.821419 0.121934 O\n0.699488 0.821419 0.520907 O\n0.121933 0.300514 0.821419 O\n0.479095 0.300514 0.178582 O\n0.300514 0.178581 0.479095 O\n0.821420 0.520906 0.699488 O\n0.699487 0.178581 0.878068 O\n0.878069 0.699487 0.178583 O\n0.178582 0.479095 0.300514 O\n0.821419 0.121932 0.300514 O\n0.520906 0.699487 0.821420 O\n",
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"density_atomic": 0.10757464176048957,
"volume": 185.9174213615246,
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"formula_full": "Yb1 Mn4 Cu3 O12",
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{
"id": "jvasp-10952",
"created_at": "2022-09-04T14:37:12.608557Z",
"updated_at": "2022-09-04T14:37:12.608583Z",
"structure_string": "Ca1 Co4 O8\n1.0\n2.832142 -0.000016 0.580947\n1.349059 6.156083 0.617424\n0.048769 0.255110 6.955646\nCa Co O\n1 4 8\ndirect\n0.484370 -0.001800 0.033181 Ca\n0.622465 0.189623 0.565579 Co\n0.150368 0.487597 0.211801 Co\n0.818481 0.508727 0.854443 Co\n0.346390 0.806685 0.500667 Co\n0.860716 0.660943 0.617759 O\n0.438356 0.332097 0.791325 O\n0.530497 0.664218 0.274921 O\n0.108134 0.335375 0.448488 O\n0.145149 0.017909 0.691934 O\n0.786663 0.327163 0.099642 O\n0.823710 0.978409 0.374300 O\n0.182186 0.669153 0.966608 O\n",
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{
"id": "jvasp-43162",
"created_at": "2022-09-04T14:36:55.906871Z",
"updated_at": "2022-09-04T14:36:55.906893Z",
"structure_string": "Li2 V1 Co3 O8\n1.0\n-2.878598 1.661960 4.700732\n-0.000000 3.323919 -4.700732\n-2.742975 -1.583658 -4.645363\nLi V Co O\n2 1 3 8\ndirect\n0.877129 0.122871 0.631385 Li\n0.122872 0.877128 0.368616 Li\n0.500001 0.500000 0.500000 V\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.737915 0.715767 0.760061 O\n0.737915 0.262086 0.760061 O\n0.263940 0.736060 0.791818 O\n0.284233 0.262086 0.760061 O\n0.715768 0.737914 0.239940 O\n0.736061 0.263939 0.208183 O\n0.262086 0.737914 0.239940 O\n0.262086 0.284232 0.239940 O\n",
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{
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"structure_string": "H12 C8 S2\n1.0\n5.112882 0.002314 0.000671\n-0.006478 5.720053 -1.440258\n0.000896 -0.023090 6.999993\nH C S\n12 8 2\ndirect\n0.653614 0.029666 0.861365 H\n0.653714 0.394721 0.109553 H\n0.902134 0.177433 0.424694 H\n0.390037 0.057895 0.170818 H\n0.916758 0.057858 0.170906 H\n0.653704 0.529684 0.361366 H\n0.404683 0.177350 0.424622 H\n0.404594 0.677334 0.924628 H\n0.902048 0.677430 0.924709 H\n0.389950 0.557871 0.670824 H\n0.916668 0.557832 0.670925 H\n0.653628 0.894693 0.609553 H\n0.903360 0.726969 0.781725 C\n0.403458 0.726960 0.781682 C\n0.653526 0.857376 0.756238 C\n0.903448 0.226987 0.281716 C\n0.403546 0.226980 0.281678 C\n0.653614 0.357398 0.256237 C\n0.153605 0.360734 0.274359 C\n0.153519 0.860713 0.774359 C\n0.153832 0.637163 0.268301 S\n0.153747 0.137138 0.768289 S\n",
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{
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"created_at": "2022-09-04T14:38:53.724318Z",
"updated_at": "2022-09-04T14:38:53.724334Z",
"structure_string": "Si1 H1 O2\n1.0\n3.281430 0.000000 0.000000\n0.000000 3.281430 0.000000\n0.000000 -0.000000 3.454129\nSi H O\n1 1 2\ndirect\n0.500001 0.500001 0.537033 Si\n0.000000 0.000000 0.857542 H\n0.000000 0.000000 0.571809 O\n0.500001 0.500001 0.043617 O\n",
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{
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"created_at": "2022-09-04T14:37:01.870945Z",
"updated_at": "2022-09-04T14:37:01.870981Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n5.032582 -0.030513 0.212828\n0.800615 6.453481 1.987840\n0.146263 -0.043028 9.148401\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.002348 0.682355 0.914988 Al\n0.771364 0.365385 0.380037 H\n0.486947 0.597098 0.490371 H\n0.649524 0.410852 0.644520 H\n0.226415 0.222171 0.697692 H\n0.075821 0.416045 0.544958 H\n0.731122 0.809320 0.248900 H\n0.448187 0.946493 0.310883 H\n0.440462 0.317646 0.366156 H\n0.866636 0.787577 0.490466 H\n0.810886 0.056488 0.621977 H\n0.497728 0.995354 0.580378 H\n0.361676 0.090729 0.017187 H\n0.579631 0.273539 0.908113 H\n0.612686 0.283573 0.163360 H\n0.914072 0.151747 0.117517 H\n0.013567 0.008431 0.383307 H\n0.569787 0.125321 0.996165 C\n0.699679 0.138678 0.141957 C\n0.675879 0.070418 0.527794 C\n0.819145 0.949415 0.421966 C\n0.663395 0.952086 0.280916 C\n0.502584 0.432647 0.555427 C\n0.598324 0.300635 0.448229 C\n0.135634 0.510006 0.738713 C\n0.728697 0.961171 0.940695 C\n0.230746 0.385546 0.631800 C\n0.145444 0.530825 0.139300 Cl\n0.251673 0.663395 0.752094 O\n0.980462 0.968756 0.901166 O\n0.639517 0.791201 0.940744 O\n0.929669 0.469955 0.828617 O\n",
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{
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"structure_string": "Li1 H2\n1.0\n4.446406 0.000000 0.014345\n0.000000 2.715440 0.000000\n-0.005973 0.000000 2.310419\nLi H\n1 2\ndirect\n0.466663 0.000000 0.133198 Li\n-0.125702 0.000000 -0.366582 H\n0.059040 0.000000 0.633385 H\n",
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{
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"created_at": "2022-09-04T14:36:40.658473Z",
"updated_at": "2022-09-04T14:36:40.658484Z",
"structure_string": "Al2 Cu2 O6\n1.0\n4.349835 0.000335 2.975860\n1.569924 4.056649 2.975860\n0.000488 0.000335 5.270371\nAl Cu O\n2 2 6\ndirect\n0.349924 0.349923 0.349924 Al\n0.650077 0.650075 0.650077 Al\n0.148069 0.148069 0.148069 Cu\n0.851932 0.851929 0.851931 Cu\n0.944967 0.264992 0.553870 O\n0.446131 0.055033 0.735007 O\n0.735007 0.446129 0.055035 O\n0.264994 0.553869 0.944965 O\n0.553871 0.944964 0.264994 O\n0.055034 0.735006 0.446130 O\n",
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{
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"structure_string": "Li3 Mn3 Fe2 O10\n1.0\n4.951991 -0.016887 0.021820\n0.789052 4.977116 -0.024929\n2.386367 1.997711 6.787453\nLi Mn Fe O\n3 3 2 10\ndirect\n0.221515 0.501213 0.572683 Li\n0.500000 -0.000000 0.500000 Li\n0.778486 0.498788 0.427316 Li\n-0.000000 0.500000 -0.000000 Mn\n0.686767 0.005775 0.108370 Mn\n0.313233 0.994225 0.891630 Mn\n0.105907 -0.000282 0.310571 Fe\n0.894094 0.000281 0.689429 Fe\n0.875212 0.775508 0.538226 O\n0.784481 0.237370 0.236871 O\n0.547388 0.211608 0.662677 O\n0.452612 0.788392 0.337322 O\n0.036078 0.778570 0.140442 O\n0.124789 0.224492 0.461773 O\n0.346080 0.213836 0.055877 O\n0.653921 0.786165 0.944122 O\n0.215519 0.762630 0.763128 O\n0.963922 0.221430 0.859557 O\n",
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{
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"structure_string": "Li1 Fe3 O4\n1.0\n3.002839 -0.005243 -0.005152\n0.008285 5.101921 0.017663\n0.010945 1.546971 4.861729\nLi Fe O\n1 3 4\ndirect\n0.510360 0.500566 -0.000116 Li\n0.010556 0.000577 0.999873 Fe\n0.510639 0.000576 0.499878 Fe\n0.010553 0.500582 0.499875 Fe\n0.010655 0.245748 0.254713 O\n0.510573 0.255917 0.755219 O\n0.510584 0.745234 0.244532 O\n0.010583 0.755396 0.745046 O\n",
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]
}