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{
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{
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{
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"structure_string": "Sr2 Nd4 Se8\n1.0\n-4.536411 4.536411 4.533603\n4.536411 -4.536411 4.533603\n4.536411 4.536411 -4.533603\nSr Nd Se\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.998746 0.375000 0.123746 Nd\n0.251254 0.875000 0.876254 Nd\n0.625000 0.748746 0.623746 Nd\n0.125000 0.001254 0.376254 Nd\n0.364988 0.268014 0.248961 Se\n0.230947 0.481986 0.596975 Se\n0.366027 0.769053 0.251039 Se\n0.883973 0.635012 0.903025 Se\n0.885012 0.633973 0.403025 Se\n0.518014 0.114988 0.748961 Se\n0.731986 0.980947 0.096975 Se\n0.019053 0.116027 0.751039 Se\n",
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{
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{
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"structure_string": "Cs16 V8 S16 O12\n1.0\n8.986965 0.000000 0.000000\n0.000000 12.661801 0.000000\n0.000000 0.000000 13.583155\nCs V S O\n16 8 16 12\ndirect\n0.750000 0.142300 0.442069 Cs\n0.750000 0.850145 0.587195 Cs\n0.750000 0.490428 0.665194 Cs\n0.750000 0.649855 0.087195 Cs\n0.250000 0.350145 0.912805 Cs\n0.250000 0.990428 0.834806 Cs\n0.750000 0.357700 0.942069 Cs\n0.250000 0.509572 0.334806 Cs\n0.750000 0.064973 0.836318 Cs\n0.250000 0.935027 0.163682 Cs\n0.250000 0.642300 0.057931 Cs\n0.750000 0.009572 0.165194 Cs\n0.250000 0.149855 0.412805 Cs\n0.750000 0.435027 0.336318 Cs\n0.250000 0.564973 0.663682 Cs\n0.250000 0.857700 0.557931 Cs\n0.445638 0.251646 0.166304 V\n0.945638 0.751646 0.333696 V\n0.445638 0.248354 0.666304 V\n0.054362 0.251646 0.166304 V\n0.054362 0.248354 0.666304 V\n0.554362 0.751646 0.333696 V\n0.945638 0.748354 0.833696 V\n0.554362 0.748354 0.833696 V\n0.506782 0.917667 0.363421 S\n0.006782 0.082333 0.636579 S\n0.493218 0.417667 0.136579 S\n0.486249 0.156961 0.034984 S\n0.986249 0.656961 0.465016 S\n0.486249 0.343039 0.534984 S\n0.006782 0.417667 0.136579 S\n0.513751 0.656961 0.465016 S\n0.993218 0.917667 0.363421 S\n0.986249 0.843039 0.965016 S\n0.493218 0.082333 0.636579 S\n0.993218 0.582333 0.863421 S\n0.013751 0.156961 0.034984 S\n0.513751 0.843039 0.965016 S\n0.013751 0.343039 0.534984 S\n0.506782 0.582333 0.863421 S\n0.250000 0.237043 0.202175 O\n0.049940 0.791883 0.739855 O\n0.450060 0.708117 0.239855 O\n0.549940 0.208117 0.260145 O\n0.450060 0.791883 0.739855 O\n0.049940 0.708117 0.239855 O\n0.750000 0.762957 0.797825 O\n0.950060 0.208117 0.260145 O\n0.250000 0.262957 0.702175 O\n0.750000 0.737043 0.297825 O\n0.549940 0.291883 0.760145 O\n0.950060 0.291883 0.760145 O\n",
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"formula_full": "Cs16 V8 S16 O12",
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{
"id": "mp-771149",
"created_at": "2022-09-04T14:41:33.455036Z",
"structure_string": "Li16 Co4 O16\n1.0\n6.604870 0.000000 0.000000\n0.000000 7.495659 0.000000\n0.000000 0.055138 8.057321\nLi Co O\n16 4 16\ndirect\n0.500000 0.695365 0.034618 Li\n0.249154 0.972954 0.151288 Li\n0.750846 0.972954 0.151288 Li\n0.259388 0.468652 0.334582 Li\n0.740612 0.468652 0.334582 Li\n0.000000 0.251837 0.436941 Li\n0.735063 0.007092 0.491419 Li\n0.264937 0.007092 0.491419 Li\n0.000000 0.749134 0.556567 Li\n0.250205 0.511874 0.660584 Li\n0.749795 0.511874 0.660584 Li\n0.000000 0.291178 0.819774 Li\n0.500000 0.763916 0.703274 Li\n0.253690 0.016059 0.834287 Li\n0.746310 0.016059 0.834287 Li\n0.500000 0.317205 0.990731 Li\n0.000000 0.233399 0.127110 Co\n0.500000 0.737382 0.377450 Co\n0.500000 0.263109 0.632372 Co\n0.000000 0.759856 0.872419 Co\n0.219522 0.205656 0.995536 O\n0.780478 0.205656 0.995536 O\n0.000000 0.427431 0.250782 O\n0.500000 0.555657 0.232820 O\n0.000000 0.048267 0.283157 O\n0.500000 0.956720 0.289418 O\n0.283784 0.719395 0.513762 O\n0.716216 0.719395 0.513762 O\n0.264405 0.289908 0.522657 O\n0.735595 0.289908 0.522657 O\n0.500000 0.031579 0.698922 O\n0.000000 0.952403 0.714260 O\n0.500000 0.451914 0.774303 O\n0.000000 0.552416 0.758703 O\n0.241274 0.798417 0.969073 O\n0.758726 0.798417 0.969073 O\n",
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{
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{
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{
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{
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{
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"structure_string": "La1 Mg14 Si1\n1.0\n6.429898 -0.000000 0.000000\n-3.214949 5.568455 0.000000\n-0.000000 0.000000 10.450926\nLa Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.125000 La\n0.181369 0.840684 0.125000 Mg\n0.158435 0.829217 0.625000 Mg\n0.659316 0.318631 0.125000 Mg\n0.670783 0.341565 0.625000 Mg\n0.659316 0.840684 0.125000 Mg\n0.670783 0.829217 0.625000 Mg\n0.330839 0.169161 0.389415 Mg\n0.330839 0.169161 0.860585 Mg\n0.330839 0.661678 0.389415 Mg\n0.330839 0.661678 0.860585 Mg\n0.838322 0.169161 0.389415 Mg\n0.838322 0.169161 0.860585 Mg\n0.833333 0.666667 0.362602 Mg\n0.833333 0.666667 0.887398 Mg\n0.166667 0.333333 0.625000 Si\n",
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]
}