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{
"id": "jvasp-24818",
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{
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{
"id": "jvasp-19388",
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"updated_at": "2022-09-04T14:38:35.021156Z",
"structure_string": "Ca4 Fe2 Sb2 O12\n1.0\n0.000000 5.474400 0.005246\n7.722236 0.000000 0.000000\n0.000000 -0.023183 -5.646269\nCa Fe Sb O\n4 2 2 12\ndirect\n0.481380 0.750000 0.431965 Ca\n0.518621 0.250000 0.568034 Ca\n0.005427 0.750000 0.955275 Ca\n-0.005427 0.250000 0.044725 Ca\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.295384 0.548899 0.697673 O\n0.578838 0.750000 0.023420 O\n0.704617 0.048898 0.302326 O\n0.107045 0.250000 0.464078 O\n0.192421 0.949367 0.208373 O\n0.807579 0.050633 0.791626 O\n0.192421 0.550634 0.208373 O\n0.295384 0.951102 0.697673 O\n0.892956 0.750000 0.535922 O\n0.704617 0.451102 0.302326 O\n0.807579 0.449367 0.791626 O\n0.421162 0.250000 0.976579 O\n",
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"spacegroup": 11
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{
"id": "jvasp-9628",
"created_at": "2022-09-04T14:37:15.596795Z",
"updated_at": "2022-09-04T14:37:15.596815Z",
"structure_string": "Ca4 Fe4 O10\n1.0\n0.000000 5.308825 -0.000317\n3.770691 0.000000 0.000000\n0.000000 -0.000116 -10.141479\nCa Fe O\n4 4 10\ndirect\n0.806170 0.500000 0.866112 Ca\n0.193831 0.500000 0.133887 Ca\n0.306168 0.500000 0.633886 Ca\n0.693831 0.500000 0.366115 Ca\n0.782061 0.000000 0.618044 Fe\n0.217939 0.000000 0.381957 Fe\n0.717943 0.000000 0.118046 Fe\n0.282057 0.000000 0.881954 Fe\n0.792119 0.500000 0.604815 O\n0.076897 0.000000 0.715395 O\n0.292122 0.500000 0.895184 O\n0.707879 0.500000 0.104816 O\n0.500000 0.000000 0.500000 O\n0.423101 0.000000 0.215393 O\n0.923102 0.000000 0.284605 O\n0.000000 0.000000 0.000000 O\n0.576899 0.000000 0.784607 O\n0.207880 0.500000 0.395186 O\n",
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"formula_full": "Ca4 Fe4 O10",
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{
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"structure_string": "Ca4 Fe4 O12\n1.0\n5.282564 0.000000 0.000000\n-0.000000 5.319242 0.000000\n0.000000 0.000000 7.481903\nCa Fe O\n4 4 12\ndirect\n0.993193 0.037837 0.250000 Ca\n0.493193 0.462163 0.750000 Ca\n0.506806 0.537837 0.250000 Ca\n0.006807 0.962163 0.750000 Ca\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.213339 0.213826 0.966542 O\n0.713339 0.286173 0.033457 O\n0.286661 0.713826 0.966542 O\n0.786660 0.786173 0.033457 O\n0.213339 0.213826 0.533457 O\n0.435818 0.990518 0.250000 O\n0.064182 0.490518 0.250000 O\n0.564182 0.009482 0.750000 O\n0.286661 0.713826 0.533457 O\n0.935817 0.509482 0.750000 O\n0.713339 0.286173 0.466543 O\n0.786660 0.786173 0.466543 O\n",
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"formula_full": "Ca4 Fe4 O12",
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},
{
"id": "jvasp-9207",
"created_at": "2022-09-04T14:37:14.283627Z",
"updated_at": "2022-09-04T14:37:14.283646Z",
"structure_string": "Ca4 Fe4 O8\n1.0\n-3.263694 0.023108 -0.024718\n0.035408 7.740005 0.023734\n-0.046424 -2.475272 -7.460279\nCa Fe O\n4 4 8\ndirect\n0.754266 0.215842 0.057706 Ca\n0.269754 0.812367 0.922213 Ca\n0.274696 0.079185 0.674249 Ca\n0.749335 0.949017 0.305666 Ca\n0.247080 0.576969 0.184981 Fe\n0.207809 0.355751 0.436385 Fe\n0.816237 0.672448 0.543547 Fe\n0.777011 0.451247 0.794933 Fe\n0.310002 0.568277 0.669052 O\n0.246185 0.805069 0.428370 O\n0.777856 0.223125 0.551542 O\n0.714096 0.459927 0.310873 O\n0.768351 0.679994 0.057455 O\n0.250592 0.081091 0.181569 O\n0.255663 0.348207 0.922459 O\n0.773431 0.947109 0.798342 O\n",
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{
"id": "jvasp-9456",
"created_at": "2022-09-04T14:38:10.161008Z",
"updated_at": "2022-09-04T14:38:10.161017Z",
"structure_string": "Ca4 Fe4 O8\n1.0\n3.150037 -0.160274 -0.011030\n0.394923 7.739083 0.127375\n0.066986 0.704746 8.671549\nCa Fe O\n4 4 8\ndirect\n0.749974 0.708912 0.963930 Ca\n0.250027 0.291089 0.036071 Ca\n0.749878 0.924774 0.283243 Ca\n0.250123 0.075227 0.716758 Ca\n0.750087 0.423183 0.717914 Fe\n0.249921 0.691261 0.638710 Fe\n0.750079 0.308740 0.361291 Fe\n0.249914 0.576818 0.282087 Fe\n0.749983 0.469351 0.163941 O\n0.750027 0.256625 0.573819 O\n0.249974 0.743375 0.426182 O\n0.250018 0.530650 0.836060 O\n0.750089 0.195753 0.882363 O\n0.750097 0.846336 0.713054 O\n0.249912 0.804248 0.117638 O\n0.249904 0.153665 0.286947 O\n",
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{
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"structure_string": "Ca4 Fe6 O16\n1.0\n2.916342 -5.051252 0.000000\n2.916342 5.051252 -0.000000\n0.000000 0.000000 10.463000\nCa Fe O\n4 6 16\ndirect\n0.333333 0.666667 0.023440 Ca\n0.666667 0.333333 0.523440 Ca\n0.333333 0.666667 0.440044 Ca\n0.666667 0.333333 0.940044 Ca\n0.327108 0.163554 0.246396 Fe\n0.163554 0.836446 0.746396 Fe\n0.163554 0.327108 0.746396 Fe\n0.672892 0.836446 0.746396 Fe\n0.836446 0.672892 0.246396 Fe\n0.836446 0.163554 0.246396 Fe\n0.520640 0.479359 0.344564 O\n0.479359 0.958718 0.844564 O\n0.666667 0.333333 0.154280 O\n0.000000 0.000000 0.840392 O\n0.000000 0.000000 0.340392 O\n0.479359 0.520640 0.844564 O\n0.520640 0.041281 0.344564 O\n0.847990 0.152009 0.654156 O\n0.304019 0.152009 0.654156 O\n0.152009 0.304019 0.154156 O\n0.152009 0.847990 0.154156 O\n0.958718 0.479359 0.344564 O\n0.847990 0.695980 0.654156 O\n0.695980 0.847990 0.154156 O\n0.041281 0.520640 0.844564 O\n0.333333 0.666667 0.654280 O\n",
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{
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"structure_string": "Ca4 Fe9 O17\n1.0\n5.889872 0.000000 0.000000\n-2.944936 5.029189 -0.764970\n0.000000 0.035209 11.133858\nCa Fe O\n4 9 17\ndirect\n0.786972 0.585073 0.755892 Ca\n0.201899 0.414927 0.244108 Ca\n0.535370 0.081275 0.255994 Ca\n0.454095 0.918725 0.744007 Ca\n0.254728 0.000000 0.500000 Fe\n0.258112 0.497890 0.504290 Fe\n0.760222 0.502110 0.495710 Fe\n0.864693 0.739819 0.234884 Fe\n0.124875 0.260181 0.765116 Fe\n0.149296 0.000000 0.000000 Fe\n0.491920 0.662900 -0.000199 Fe\n0.829021 0.337101 0.000199 Fe\n0.764023 0.000000 0.500000 Fe\n0.596500 0.206962 0.593237 O\n0.389537 0.793038 0.406763 O\n0.823243 0.657153 0.971912 O\n0.914806 0.308154 0.405341 O\n0.606652 0.691846 0.594659 O\n0.411892 0.310446 0.408302 O\n0.101447 0.689554 0.591698 O\n0.492991 0.000000 0.000000 O\n0.584071 0.734440 0.167917 O\n0.849630 0.265560 0.832083 O\n0.842201 0.433623 0.169471 O\n0.408578 0.566378 0.830529 O\n0.140996 -0.003225 0.170512 O\n0.144221 0.003225 0.829488 O\n0.166091 0.342847 0.028089 O\n0.924481 0.794053 0.400928 O\n0.130428 0.205947 0.599072 O\n",
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"structure_string": "Ca4 Ga1 Si3\n1.0\n4.000483 -0.000000 0.000000\n0.000000 4.483664 0.000000\n-0.000000 -0.000000 10.780367\nCa Ga Si\n4 1 3\ndirect\n0.000000 0.000000 0.363811 Ca\n-0.000000 0.500000 0.859061 Ca\n0.500000 0.500000 0.139456 Ca\n0.500000 0.000000 0.639039 Ca\n0.000000 0.000000 0.071015 Ga\n-0.000000 0.500000 0.569112 Si\n0.500000 0.500000 0.431901 Si\n0.500000 0.000000 0.926608 Si\n",
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"spacegroup": 25
},
{
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"structure_string": "Ca4 Ga1 Sn3\n1.0\n4.374316 -0.000000 0.000000\n0.000000 4.681562 0.000000\n-0.000000 -0.000000 11.374914\nCa Ga Sn\n4 1 3\ndirect\n0.000000 0.000000 0.357392 Ca\n-0.000000 0.500000 0.869391 Ca\n0.500000 0.500000 0.131548 Ca\n0.500000 0.000000 0.637592 Ca\n0.000000 0.000000 0.082132 Ga\n-0.000000 0.500000 0.584752 Sn\n0.500000 0.500000 0.413412 Sn\n0.500000 0.000000 0.923780 Sn\n",
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},
{
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"created_at": "2022-09-04T14:38:55.131515Z",
"updated_at": "2022-09-04T14:38:55.131542Z",
"structure_string": "Ca4 Ga2 Si4 O14\n1.0\n7.955608 -0.000000 0.000000\n0.000000 7.955608 0.000000\n-0.000000 -0.000000 5.056431\nCa Ga Si O\n4 2 4 14\ndirect\n0.168284 0.331716 0.499007 Ca\n0.831716 0.668284 0.499007 Ca\n0.668284 0.168284 0.500993 Ca\n0.331716 0.831716 0.500993 Ca\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.639901 0.860099 0.932512 Si\n0.360099 0.139901 0.932512 Si\n0.139901 0.639901 0.067488 Si\n0.860099 0.360099 0.067488 Si\n0.358121 0.141879 0.250849 O\n0.641879 0.858121 0.250849 O\n0.500000 0.000000 0.814992 O\n-0.000000 0.500000 0.185008 O\n0.687993 0.418547 0.228111 O\n0.312007 0.581454 0.228111 O\n0.918547 0.187993 0.228111 O\n0.812008 0.918547 0.771889 O\n0.418547 0.312007 0.771889 O\n0.187993 0.081454 0.771889 O\n0.141879 0.641879 0.749151 O\n0.081454 0.812008 0.228111 O\n0.581454 0.687993 0.771889 O\n0.858121 0.358121 0.749151 O\n",
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}
]
}