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{
"id": "jvasp-109170",
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{
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"structure_string": "Li1 Co2 Cu1 O6\n1.0\n6.390753 0.004789 -1.428908\n0.613847 2.737756 -0.000001\n0.128428 -0.028796 5.606375\nLi Co Cu O\n1 2 1 6\ndirect\n0.634697 0.682652 0.135883 Li\n-0.000841 0.000421 0.000280 Co\n0.689886 0.655057 0.648844 Co\n0.318332 0.340835 0.366847 Cu\n0.968167 0.515917 0.203538 O\n0.390033 0.804983 0.591847 O\n0.697361 0.151319 0.882108 O\n0.294393 0.852805 0.131730 O\n0.684793 0.157604 0.432900 O\n0.989846 0.505077 0.772694 O\n",
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{
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"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",
"nsites": 16,
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{
"id": "jvasp-57386",
"created_at": "2022-09-04T14:38:15.523406Z",
"updated_at": "2022-09-04T14:38:15.523426Z",
"structure_string": "Ba6 Fe4 Cl4 O10\n1.0\n8.228080 0.000000 -2.909064\n-4.114041 7.125726 -2.909064\n-0.000000 -0.000000 8.727196\nBa Fe Cl O\n6 4 4 10\ndirect\n0.250000 0.652866 0.402866 Ba\n0.402865 0.250000 0.652866 Ba\n0.847135 0.097135 0.750001 Ba\n0.750000 0.847135 0.097136 Ba\n0.652865 0.402865 0.250001 Ba\n0.097135 0.750000 0.847136 Ba\n0.186594 0.186594 0.186594 Fe\n0.313406 0.500000 0.000001 Fe\n0.500000 -0.000000 0.313407 Fe\n0.000000 0.313406 0.500000 Fe\n0.885390 0.500000 0.000001 Cl\n0.500000 0.000000 0.885391 Cl\n0.000000 0.885391 0.500001 Cl\n0.614610 0.614610 0.614611 Cl\n0.500000 0.000000 0.523589 O\n0.250000 0.388998 0.138999 O\n0.388998 0.138998 0.250000 O\n0.000000 0.523588 0.500001 O\n0.750000 0.111002 0.361002 O\n0.523588 0.500000 0.000001 O\n0.138998 0.250000 0.388999 O\n0.976412 0.976412 0.976414 O\n0.111002 0.361002 0.750001 O\n0.361002 0.750000 0.111003 O\n",
"nsites": 24,
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],
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{
"id": "jvasp-117439",
"created_at": "2022-09-04T14:38:26.579367Z",
"updated_at": "2022-09-04T14:38:26.579393Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.954649 0.000000 0.000000\n0.000000 6.040665 0.000000\n-0.000000 -0.000000 10.852194\nLi Co Si O\n4 4 4 16\ndirect\n0.352043 0.501408 0.924932 Li\n0.147957 0.501408 0.424932 Li\n0.852043 0.001407 0.575068 Li\n0.647957 0.001407 0.075068 Li\n0.648492 0.247581 0.335902 Co\n0.851508 0.247581 0.835902 Co\n0.351508 0.747582 0.664098 Co\n0.148492 0.747582 0.164098 Co\n0.854030 0.750254 0.829988 Si\n0.645971 0.750254 0.329988 Si\n0.145971 0.250253 0.170011 Si\n0.354029 0.250253 0.670011 Si\n0.185512 0.733423 0.820035 O\n0.725805 0.768968 0.689497 O\n0.314489 0.733423 0.320035 O\n0.774196 0.768968 0.189498 O\n0.761046 0.524282 0.397500 O\n0.738954 0.524282 0.897499 O\n0.275131 0.473839 0.590067 O\n0.261046 0.024282 0.102500 O\n0.685512 0.233423 0.679965 O\n0.225804 0.268968 0.810502 O\n0.274196 0.268968 0.310502 O\n0.814489 0.233423 0.179965 O\n0.724869 0.973839 0.409933 O\n0.238954 0.024282 0.602500 O\n0.224869 0.473839 0.090067 O\n0.775131 0.973839 0.909933 O\n",
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"formula_full": "Li4 Co4 Si4 O16",
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"spacegroup": 33
},
{
"id": "jvasp-109005",
"created_at": "2022-09-04T14:38:15.529099Z",
"updated_at": "2022-09-04T14:38:15.529115Z",
"structure_string": "Rb2 Na1 In1 Br6\n1.0\n6.762561 -0.000000 3.904366\n2.254187 6.375804 3.904366\n-0.000000 -0.000000 7.808733\nRb Na In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.756363 0.243637 0.243638 Br\n0.243637 0.243637 0.756363 Br\n0.243638 0.756362 0.756363 Br\n0.243638 0.756362 0.243637 Br\n0.756363 0.243637 0.756363 Br\n0.756363 0.756362 0.243638 Br\n",
"nsites": 10,
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],
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"formula_full": "Rb2 Na1 In1 Br6",
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},
{
"id": "jvasp-109855",
"created_at": "2022-09-04T14:38:19.399525Z",
"updated_at": "2022-09-04T14:38:19.399544Z",
"structure_string": "K2 Ag1 Pd1 F6\n1.0\n5.291097 -0.000000 3.054816\n1.763699 4.988494 3.054816\n-0.000000 -0.000000 6.109632\nK Ag Pd F\n2 1 1 6\ndirect\n0.750001 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.759889 0.240111 0.240112 F\n0.240112 0.240111 0.759888 F\n0.240112 0.759888 0.759889 F\n0.240112 0.759888 0.240112 F\n0.759889 0.240111 0.759889 F\n0.759889 0.759888 0.240112 F\n",
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{
"id": "jvasp-11729",
"created_at": "2022-09-04T14:38:09.754028Z",
"updated_at": "2022-09-04T14:38:09.754048Z",
"structure_string": "Li4 Fe2 Si2 O8\n1.0\n4.965074 0.000000 0.000000\n0.000000 5.326696 0.000000\n0.000000 0.000000 6.267331\nLi Fe Si O\n4 2 2 8\ndirect\n0.057009 0.667303 0.250371 Li\n0.557009 0.332697 0.249629 Li\n0.557009 0.332697 0.750371 Li\n0.057009 0.667303 0.749629 Li\n0.059266 0.174921 0.500000 Fe\n0.559266 0.825080 0.000000 Fe\n0.050574 0.168838 0.000000 Si\n0.550573 0.831163 0.500000 Si\n0.717616 0.174931 0.000000 O\n0.161042 0.315671 0.216028 O\n0.217616 0.825070 0.500000 O\n0.651441 0.128155 0.500000 O\n0.661041 0.684330 0.716027 O\n0.661041 0.684330 0.283972 O\n0.161042 0.315671 0.783972 O\n0.151442 0.871846 0.000000 O\n",
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{
"id": "jvasp-109481",
"created_at": "2022-09-04T14:38:19.412995Z",
"updated_at": "2022-09-04T14:38:19.413019Z",
"structure_string": "Rb2 In1 Ag1 Cl6\n1.0\n6.375164 -0.000000 3.680703\n2.125055 6.010562 3.680703\n-0.000000 -0.000000 7.361405\nRb In Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500000 Ag\n0.755992 0.244007 0.244007 Cl\n0.244007 0.244007 0.755993 Cl\n0.244007 0.755993 0.755993 Cl\n0.244007 0.755993 0.244007 Cl\n0.755992 0.244007 0.755993 Cl\n0.755992 0.755993 0.244007 Cl\n",
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{
"id": "jvasp-9498",
"created_at": "2022-09-04T14:38:10.040743Z",
"updated_at": "2022-09-04T14:38:10.040757Z",
"structure_string": "Zn2 Si2 Ni2 O10\n1.0\n5.066200 -0.236604 0.058118\n-1.353799 5.142135 -0.011580\n-1.676635 -2.311354 6.202952\nZn Si Ni O\n2 2 2 10\ndirect\n0.344044 0.197522 0.789458 Zn\n0.664438 0.792301 0.239638 Zn\n0.691100 0.810744 0.748488 Si\n0.317392 0.179102 0.280622 Si\n0.004249 0.494922 0.514555 Ni\n0.004251 0.494925 0.014554 Ni\n0.715263 0.641568 0.921038 O\n0.972635 0.840854 0.657608 O\n0.293234 0.348280 0.108074 O\n0.035860 0.148990 0.371504 O\n0.616349 0.295101 0.486741 O\n0.305115 0.861201 0.148821 O\n0.392150 0.694758 0.542371 O\n0.703386 0.128646 0.880289 O\n0.871412 0.535143 0.253490 O\n0.137100 0.454710 0.775618 O\n",
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{
"id": "jvasp-117339",
"created_at": "2022-09-04T14:38:26.361585Z",
"updated_at": "2022-09-04T14:38:26.361610Z",
"structure_string": "Pb4 Se2 N4 O18\n1.0\n5.550806 -0.000000 0.000000\n0.000000 7.300724 0.000000\n-0.000000 -0.000000 10.121949\nPb Se N O\n4 2 4 18\ndirect\n0.500000 0.895402 0.160284 Pb\n-0.000000 0.395402 0.839716 Pb\n0.500000 0.097911 0.528710 Pb\n-0.000000 0.597911 0.471290 Pb\n0.500000 0.639964 0.682186 Se\n-0.000000 0.139965 0.317814 Se\n0.500000 0.496899 0.271076 N\n0.000000 -0.003101 0.728925 N\n0.500000 0.262251 -0.003919 N\n-0.000000 0.762251 0.003919 N\n0.698995 0.204757 0.043323 O\n0.801302 0.078732 0.754260 O\n0.198698 0.078732 0.754260 O\n-0.000000 0.839004 0.680210 O\n0.500000 0.339004 0.319790 O\n0.801006 0.704757 0.956677 O\n0.198995 0.704757 0.956677 O\n0.301005 0.204757 0.043323 O\n0.739393 0.489987 0.650084 O\n0.500000 0.374903 0.900737 O\n0.760608 0.989986 0.349917 O\n0.239393 0.989986 0.349917 O\n0.301302 0.578732 0.245740 O\n0.260608 0.489987 0.650084 O\n-0.000000 0.260760 0.464612 O\n0.500000 0.760760 0.535388 O\n-0.000000 0.874903 0.099263 O\n0.698699 0.578732 0.245740 O\n",
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"formula_full": "Pb4 Se2 N4 O18",
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{
"id": "jvasp-117443",
"created_at": "2022-09-04T14:38:26.599744Z",
"updated_at": "2022-09-04T14:38:26.599768Z",
"structure_string": "Li5 Mn3 O5 F3\n1.0\n5.075330 -0.003771 -2.655104\n-1.580527 4.916602 -2.754606\n0.003095 -0.019115 5.982829\nLi Mn O F\n5 3 5 3\ndirect\n0.877733 0.122581 0.247005 Li\n0.864431 0.131377 0.741249 Li\n0.854108 0.603973 0.725653 Li\n0.388011 0.135827 0.271093 Li\n0.377976 0.613570 0.740670 Li\n0.860718 0.611990 0.220394 Mn\n0.375381 0.626525 0.251268 Mn\n0.383259 0.133317 0.749259 Mn\n0.607546 0.386530 0.227355 O\n0.122787 0.405310 0.249621 O\n0.631315 0.850339 0.258375 O\n0.616626 0.368637 0.739742 O\n0.144628 0.868004 0.284707 O\n0.659110 0.878301 0.790023 F\n0.145066 0.891105 0.791647 F\n0.091293 0.372603 0.711931 F\n",
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],
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"formula_full": "Li5 Mn3 O5 F3",
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}
]
}