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{
"id": "jvasp-63906",
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"structure_string": "Li2 Y2 F8\n1.0\n4.761741 -0.000020 -2.032635\n-0.867695 4.682318 -2.032538\n-0.030031 -0.035984 6.523180\nLi Y F\n2 2 8\ndirect\n0.125000 0.375032 0.250024 Li\n0.875001 0.624970 0.749977 Li\n0.375013 0.125009 0.750004 Y\n0.624988 0.874992 0.249997 Y\n0.676171 0.542584 0.911752 F\n0.369187 0.176173 0.411748 F\n0.764428 0.130823 0.088252 F\n0.957409 0.264411 0.588230 F\n0.630814 0.823829 0.588253 F\n0.323830 0.457417 0.088249 F\n0.235573 0.869178 0.911749 F\n0.042593 0.735590 0.411771 F\n",
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{
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"created_at": "2022-09-04T14:36:40.023153Z",
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"structure_string": "Li2 Y2 F8\n1.0\n4.808776 0.214775 -1.905646\n-1.010443 4.659626 -2.019662\n-0.198020 -0.093162 6.519570\nLi Y F\n2 2 8\ndirect\n0.374896 0.124896 0.749792 Li\n0.625106 0.875106 0.250209 Li\n0.124985 0.374985 0.249968 Y\n0.875018 0.625018 0.750033 Y\n0.457479 0.764400 0.588264 F\n0.264428 0.630981 0.088300 F\n0.869217 0.676137 0.411738 F\n0.823874 0.957321 0.088301 F\n0.542523 0.235602 0.411737 F\n0.130786 0.323865 0.588263 F\n0.176128 0.042681 0.911701 F\n0.735574 0.369021 0.911701 F\n",
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{
"id": "jvasp-22894",
"created_at": "2022-09-04T14:38:19.543485Z",
"updated_at": "2022-09-04T14:38:19.543495Z",
"structure_string": "Rb4 Si6 Sn2 O18\n1.0\n3.517550 -6.092576 -0.000000\n3.517550 6.092576 -0.000000\n-0.000000 0.000000 10.177131\nRb Si Sn O\n4 6 2 18\ndirect\n0.333333 0.666667 0.940538 Rb\n0.666667 0.333333 0.440538 Rb\n0.333333 0.666667 0.559462 Rb\n0.666667 0.333333 0.059462 Rb\n0.134370 0.751749 0.250000 Si\n0.248251 0.382622 0.250000 Si\n0.382622 0.134370 0.750000 Si\n0.865630 0.248251 0.750000 Si\n0.617378 0.865629 0.250000 Si\n0.751749 0.617378 0.750000 Si\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.227447 0.255296 0.386181 O\n0.912473 0.506710 0.750000 O\n0.087527 0.493289 0.250000 O\n0.405762 0.912473 0.250000 O\n0.493289 0.405763 0.750000 O\n0.255296 0.027849 0.886181 O\n0.027849 0.772553 0.386181 O\n0.772553 0.744704 0.886181 O\n0.227447 0.255296 0.113819 O\n0.744704 0.972151 0.386181 O\n0.744704 0.972151 0.113819 O\n0.972151 0.227446 0.613819 O\n0.772553 0.744704 0.613819 O\n0.594238 0.087527 0.750000 O\n0.027849 0.772553 0.113819 O\n0.255296 0.027849 0.613819 O\n0.972151 0.227446 0.886181 O\n0.506711 0.594237 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:36:32.139584Z",
"updated_at": "2022-09-04T14:36:32.139609Z",
"structure_string": "K1 Zn1 Sb1\n1.0\n2.280226 -3.949468 0.000000\n2.280226 3.949468 -0.000000\n-0.000000 0.000000 5.290211\nK Zn Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333334 0.666668 0.500000 Zn\n0.666668 0.333334 0.500000 Sb\n",
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{
"id": "jvasp-48300",
"created_at": "2022-09-04T14:36:36.777262Z",
"updated_at": "2022-09-04T14:36:36.777287Z",
"structure_string": "Li4 Ti4 Fe2 O12\n1.0\n5.000869 -0.023857 -0.000000\n-2.533742 4.311544 0.000000\n0.000000 0.000000 10.241536\nLi Ti Fe O\n4 4 2 12\ndirect\n0.152011 0.652010 0.750000 Li\n0.347989 0.847988 0.250000 Li\n0.652011 0.152011 0.750000 Li\n0.847989 0.347988 0.250000 Li\n0.160126 0.839873 0.500000 Ti\n0.339874 0.660125 0.000000 Ti\n0.660126 0.339873 0.000000 Ti\n0.839874 0.160125 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.506377 0.162601 0.390745 O\n0.835072 0.835070 0.394405 O\n0.337399 0.993622 0.890745 O\n0.664928 0.664927 0.894405 O\n0.335072 0.335071 0.105596 O\n0.006377 0.662600 0.109255 O\n0.493623 0.837398 0.609255 O\n0.162601 0.506376 0.390745 O\n0.993623 0.337398 0.890745 O\n0.837399 0.493622 0.609255 O\n0.164928 0.164928 0.605596 O\n0.662601 0.006376 0.109255 O\n",
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"formula_full": "Li4 Ti4 Fe2 O12",
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{
"id": "jvasp-88036",
"created_at": "2022-09-04T14:36:03.285545Z",
"updated_at": "2022-09-04T14:36:03.285579Z",
"structure_string": "Rb2 Nb2 Ge6 O18\n1.0\n7.124373 -0.000000 0.000000\n-3.562186 6.169889 -0.000000\n-0.000000 -0.000000 10.350850\nRb Nb Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Rb\n0.666667 0.333333 0.500000 Rb\n0.333333 0.666667 0.000000 Nb\n0.333333 0.666667 0.500000 Nb\n0.073846 0.784597 0.750000 Ge\n0.710750 0.926154 0.750000 Ge\n0.215403 0.289249 0.750000 Ge\n0.215403 0.926154 0.250000 Ge\n0.073846 0.289249 0.250000 Ge\n0.710750 0.784597 0.250000 Ge\n0.560945 0.659002 0.110170 O\n0.098057 0.659002 0.610170 O\n0.340998 0.439055 0.610170 O\n0.098057 0.659002 0.889830 O\n0.340998 0.439055 0.889830 O\n0.560945 0.901943 0.889830 O\n0.340998 0.901943 0.110170 O\n0.560945 0.659002 0.389830 O\n0.801034 0.733271 0.750000 O\n0.098057 0.439055 0.110170 O\n0.266730 0.067764 0.750000 O\n0.932235 0.198966 0.750000 O\n0.098057 0.439055 0.389830 O\n0.801034 0.067764 0.250000 O\n0.932235 0.733271 0.250000 O\n0.266729 0.198966 0.250000 O\n0.340998 0.901943 0.389830 O\n0.560945 0.901943 0.610170 O\n",
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{
"id": "jvasp-34779",
"created_at": "2022-09-04T14:37:13.251245Z",
"updated_at": "2022-09-04T14:37:13.251270Z",
"structure_string": "Cu4 Cl4 O2\n1.0\n5.721985 0.031465 -2.333239\n-2.541064 5.126900 -2.333239\n-0.036132 -0.058593 6.179033\nCu Cl O\n4 4 2\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.500001 -0.000000 0.500000 Cu\n0.500001 0.500000 -0.000000 Cu\n0.672178 0.922176 0.844353 Cl\n0.077825 0.327824 0.655647 Cl\n0.922177 0.672175 0.344353 Cl\n0.327824 0.077824 0.155647 Cl\n0.375001 0.625000 0.250000 O\n0.625001 0.375000 0.750000 O\n",
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"volume": 180.20320932117448,
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{
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"created_at": "2022-09-04T14:35:56.427443Z",
"updated_at": "2022-09-04T14:35:56.427474Z",
"structure_string": "Rb12 Si4 O14\n1.0\n6.732922 0.000000 -0.127831\n0.000000 9.238938 0.000000\n-0.000197 0.000000 9.218361\nRb Si O\n12 4 14\ndirect\n0.607009 0.852700 0.091097 Rb\n0.612826 0.723005 0.723514 Rb\n0.112826 0.776995 0.223514 Rb\n0.387173 0.276995 0.276486 Rb\n0.246442 0.524689 0.952764 Rb\n0.253557 0.024689 0.547236 Rb\n0.753557 0.475311 0.047236 Rb\n0.746442 0.975311 0.452764 Rb\n0.107009 0.647300 0.591097 Rb\n0.392990 0.147300 0.908903 Rb\n0.892990 0.352700 0.408903 Rb\n0.887173 0.223005 0.776486 Rb\n0.957689 0.131738 0.124764 Si\n0.457689 0.368262 0.624764 Si\n0.042310 0.868262 0.875236 Si\n0.542310 0.631738 0.375236 Si\n0.053102 0.077634 0.280918 O\n0.446897 0.577634 0.219082 O\n0.284884 0.844706 0.868588 O\n0.215115 0.344706 0.631412 O\n0.715115 0.155295 0.131412 O\n0.784884 0.655295 0.368588 O\n0.570955 0.222341 0.565807 O\n0.929044 0.722341 0.934193 O\n0.429045 0.777659 0.434193 O\n0.946897 0.922366 0.719082 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.553102 0.422366 0.780918 O\n0.070955 0.277659 0.065807 O\n",
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{
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"created_at": "2022-09-04T14:37:12.876144Z",
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"structure_string": "Na8 Sn4 O8\n1.0\n5.152919 0.000000 0.000000\n0.000000 6.657421 0.000000\n0.000000 0.000000 9.655585\nNa Sn O\n8 4 8\ndirect\n-0.006147 0.623526 0.422574 Na\n0.008623 0.128862 0.759304 Na\n0.491377 0.871137 0.259305 Na\n0.506147 0.376474 0.922574 Na\n0.493854 0.876474 0.577426 Na\n0.508623 0.371138 0.240695 Na\n0.991377 0.628862 0.740695 Na\n0.006147 0.123526 0.077426 Na\n0.015026 0.601569 0.074069 Sn\n0.484974 0.398431 0.574068 Sn\n0.515026 0.898431 0.925931 Sn\n-0.015026 0.101569 0.425931 Sn\n0.001394 0.891756 0.580220 O\n0.077762 0.343186 0.557568 O\n0.422238 0.656814 0.057568 O\n0.498606 0.108244 0.080220 O\n0.501394 0.608244 0.419780 O\n0.577762 0.156814 0.442432 O\n0.922238 0.843186 0.942431 O\n0.998606 0.391756 0.919780 O\n",
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"structure_string": "Ti1 Cr2 S4\n1.0\n-0.000000 3.447916 0.000000\n-0.075138 0.000000 6.089068\n5.654041 -1.723959 -2.979297\nTi Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.741456 0.729248 0.482912 Cr\n0.258544 0.270752 0.517088 Cr\n0.632387 0.967615 0.264774 S\n0.367614 0.032385 0.735226 S\n0.872457 0.546652 0.744913 S\n0.127543 0.453348 0.255086 S\n",
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"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.304929 -0.086357 0.000000\n-3.227252 5.589765 0.000000\n0.000000 0.000000 4.944710\nMg Fe Bi\n6 1 1\ndirect\n0.672632 0.331789 0.250000 Mg\n0.672632 0.840841 0.250000 Mg\n0.327411 0.187417 0.750000 Mg\n0.327411 0.639993 0.750000 Mg\n0.846062 0.173031 0.750000 Mg\n0.815191 0.657596 0.750000 Mg\n0.170661 0.335329 0.250000 Fe\n0.168000 0.833998 0.250000 Bi\n",
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]
}