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{
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"updated_at": "2022-09-04T14:36:46.284940Z",
"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": "2022-09-04T14:36:55.906871Z",
"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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"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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"volume": 120.85057937613433,
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"formula_full": "Ca1 Co4 O8",
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{
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"created_at": "2022-09-04T14:38:44.904621Z",
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"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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"formula_full": "Yb1 Mn4 Cu3 O12",
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{
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"created_at": "2022-09-04T14:36:33.538893Z",
"updated_at": "2022-09-04T14:36:33.538914Z",
"structure_string": "Li2 N1\n1.0\n-2.406912 -2.406912 -0.000000\n-2.406912 -0.000000 -2.406912\n0.000000 -2.406912 -2.406912\nLi N\n2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 N\n",
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},
{
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"created_at": "2022-09-04T14:36:40.178225Z",
"updated_at": "2022-09-04T14:36:40.178238Z",
"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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"structure_string": "Li5 Mn7 O12\n1.0\n5.102361 0.099011 -0.076688\n2.316332 4.547361 0.076688\n-0.587868 0.938628 9.742438\nLi Mn O\n5 7 12\ndirect\n0.157359 0.662322 0.507947 Li\n0.331700 0.842858 0.990496 Li\n0.662321 0.157360 0.992053 Li\n0.842857 0.331701 0.509504 Li\n0.920910 0.920911 0.750000 Li\n0.583888 0.583888 0.750000 Mn\n0.416599 0.416599 0.250000 Mn\n0.507558 -0.003803 0.503715 Mn\n0.745459 0.745459 0.250000 Mn\n-0.003804 0.507558 0.996285 Mn\n0.074267 0.074267 0.250000 Mn\n0.254174 0.254174 0.750000 Mn\n0.798237 0.004780 0.376882 O\n0.994184 0.213299 0.872825 O\n0.213298 0.994185 0.627175 O\n0.167670 0.341029 0.378690 O\n0.341028 0.167670 0.121310 O\n0.310887 0.523571 0.864832 O\n0.523570 0.310888 0.635169 O\n0.473603 0.691811 0.365963 O\n0.691811 0.473604 0.134037 O\n0.651754 0.835876 0.877802 O\n0.835875 0.651755 0.622198 O\n0.004779 0.798237 0.123119 O\n",
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{
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"structure_string": "Fe6 N3\n1.0\n2.362545 -4.092049 -0.000000\n2.362545 4.092049 0.000000\n-0.000000 0.000000 4.325533\nFe N\n6 3\ndirect\n0.331662 0.331662 0.250238 Fe\n0.668340 0.000001 0.250238 Fe\n0.000001 0.668340 0.250238 Fe\n0.000000 0.331661 0.749762 Fe\n0.668340 0.668340 0.749762 Fe\n0.331661 0.000000 0.749762 Fe\n0.333334 0.666668 0.500000 N\n0.666668 0.333334 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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]
}