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{
"id": "jvasp-100664",
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"structure_string": "Ce1 Mn1 Si2 Pd1\n1.0\n3.838101 0.007328 -4.298434\n-0.553146 3.798039 -4.298434\n-0.006326 -0.007328 5.762597\nCe Mn Si Pd\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.749999 0.250000 0.500001 Mn\n0.625024 0.625026 1.000000 Si\n0.374973 0.374974 0.000000 Si\n0.249999 0.750000 0.500000 Pd\n",
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{
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{
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"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.224996 -0.000012 0.000003\n-1.612508 2.792911 -0.000021\n0.000033 -0.000263 34.073212\nMo W Se S\n2 2 2 6\ndirect\n0.333322 0.666640 0.093392 Mo\n0.333331 0.666655 0.472004 Mo\n0.666666 0.333337 0.282673 W\n0.666682 0.333370 0.654844 W\n0.333339 0.666685 0.333193 Se\n0.333325 0.666652 0.232156 Se\n0.333336 0.666677 0.700721 S\n0.666643 0.333284 0.047767 S\n0.666665 0.333320 0.426325 S\n0.666669 0.333331 0.139075 S\n0.666666 0.333329 0.517666 S\n0.333361 0.666725 0.608933 S\n",
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{
"id": "jvasp-48303",
"created_at": "2022-09-04T14:36:39.860718Z",
"updated_at": "2022-09-04T14:36:39.860746Z",
"structure_string": "Li3 Ti1 Ni3 O8\n1.0\n-1.550777 5.622896 -0.049138\n-1.628040 2.496289 4.874544\n3.444507 4.137209 2.380058\nLi Ti Ni O\n3 1 3 8\ndirect\n0.500001 0.499999 0.500000 Li\n0.000000 0.500000 0.500000 Li\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 -0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500001 -0.000000 -0.000000 Ni\n0.772955 0.740475 0.229472 O\n0.250147 0.762473 0.224906 O\n0.772954 0.257098 0.229472 O\n0.249241 0.274896 0.200966 O\n0.750760 0.725103 0.799034 O\n0.227047 0.742901 0.770529 O\n0.749854 0.237526 0.775094 O\n0.227047 0.259524 0.770529 O\n",
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{
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"created_at": "2022-09-04T14:36:39.841728Z",
"updated_at": "2022-09-04T14:36:39.841754Z",
"structure_string": "Ce1 Nd1 Al2 O6\n1.0\n4.635035 0.013171 2.660728\n-1.502084 4.384914 2.660728\n0.009585 0.013456 5.342186\nCe Nd Al O\n1 1 2 6\ndirect\n0.751859 0.751857 0.498167 Ce\n0.246063 0.246063 0.503808 Nd\n0.999698 0.500061 0.000116 Al\n0.500063 0.999696 0.000116 Al\n0.220823 0.781450 0.997912 O\n0.781450 0.220824 0.997912 O\n0.221964 0.780236 0.499831 O\n0.780236 0.221964 0.499831 O\n0.692292 0.692290 0.056526 O\n0.305556 0.305557 0.945787 O\n",
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"formula_full": "Ce1 Nd1 Al2 O6",
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{
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"created_at": "2022-09-04T14:36:39.836439Z",
"updated_at": "2022-09-04T14:36:39.836458Z",
"structure_string": "K2 V2 Cu4 S8\n1.0\n5.152875 -0.000000 -1.558377\n0.000000 7.292929 0.000000\n-0.009101 0.000000 9.268256\nK V Cu S\n2 2 4 8\ndirect\n0.915316 0.750000 0.362390 K\n0.552926 0.250000 0.637610 K\n0.865374 0.750000 0.776189 V\n0.089185 0.250000 0.223811 V\n-0.000536 0.500000 0.000000 Cu\n-0.000536 0.000000 0.000000 Cu\n0.366514 0.750000 0.779380 Cu\n0.587134 0.250000 0.220620 Cu\n0.324252 0.497268 0.223844 S\n0.100409 0.502732 0.776157 S\n0.532445 0.750000 0.577648 S\n0.954796 0.250000 0.422351 S\n0.731685 0.750000 0.983878 S\n0.747808 0.250000 0.016122 S\n0.324252 0.002732 0.223844 S\n0.100409 0.997268 0.776157 S\n",
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{
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"created_at": "2022-09-04T14:36:39.813236Z",
"updated_at": "2022-09-04T14:36:39.813253Z",
"structure_string": "Rb2 Ga1 Au1 Br6\n1.0\n6.585859 0.000000 3.802347\n2.195286 6.209207 3.802347\n0.000000 0.000000 7.604695\nRb Ga Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.756617 0.243384 0.243384 Br\n0.243384 0.243384 0.756616 Br\n0.243384 0.756617 0.756616 Br\n0.243384 0.756617 0.243384 Br\n0.756617 0.243384 0.756616 Br\n0.756617 0.756617 0.243384 Br\n",
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{
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"structure_string": "Nb1 Co1 Pb2 O6\n1.0\n4.833628 -0.000000 2.790696\n1.611210 4.557189 2.790696\n0.000000 -0.000000 5.581393\nNb Co Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.744224 0.255777 0.255777 O\n0.255777 0.744224 0.744223 O\n0.255777 0.744224 0.255777 O\n0.744224 0.255777 0.744223 O\n0.255777 0.255777 0.744223 O\n0.744224 0.744224 0.255777 O\n",
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"formula_full": "Nb1 Co1 Pb2 O6",
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{
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"structure_string": "Tb2 Yb4 Pr2 S12\n1.0\n0.000000 10.874604 -0.015145\n4.106837 0.000000 0.000000\n0.000000 -2.888869 -11.043965\nTb Yb Pr S\n2 4 2 12\ndirect\n0.170399 0.750001 0.030771 Tb\n0.829601 0.250000 0.969228 Tb\n0.947754 0.750001 0.350948 Yb\n0.052246 0.250000 0.649051 Yb\n0.671506 0.750001 0.584900 Yb\n0.328493 0.250000 0.415099 Yb\n0.528555 0.750001 0.182240 Pr\n0.471445 0.250000 0.817759 Pr\n0.597423 0.250000 0.384717 S\n0.402576 0.750001 0.615282 S\n0.271826 0.750001 0.727586 S\n0.728173 0.250000 0.272413 S\n0.301364 0.750001 0.260433 S\n0.628294 0.750001 0.967239 S\n0.950423 0.750001 0.106327 S\n0.049576 0.250000 0.893672 S\n0.900687 0.750001 0.571041 S\n0.371705 0.250000 0.032760 S\n0.698636 0.250000 0.739566 S\n0.099312 0.250000 0.428958 S\n",
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{
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"created_at": "2022-09-04T14:36:35.086648Z",
"updated_at": "2022-09-04T14:36:35.086674Z",
"structure_string": "Ba2 Ho1 U1 O6\n1.0\n5.367134 0.000000 3.098716\n1.789044 5.060182 3.098716\n0.000000 0.000000 6.197432\nBa Ho U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.499999 0.500000 0.500001 Ho\n0.000000 0.000000 0.000000 U\n0.754507 0.245492 0.245493 O\n0.245491 0.754508 0.754509 O\n0.245491 0.754508 0.245493 O\n0.754507 0.245492 0.754509 O\n0.245492 0.245492 0.754508 O\n0.754507 0.754508 0.245494 O\n",
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{
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"created_at": "2022-09-04T14:36:45.656719Z",
"updated_at": "2022-09-04T14:36:45.656735Z",
"structure_string": "Rb2 Ag1 Bi1 Cl6\n1.0\n6.567906 -0.000000 3.791982\n2.189302 6.192281 3.791982\n-0.000000 -0.000000 7.583965\nRb Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Bi\n0.747838 0.252162 0.252162 Cl\n0.252162 0.252162 0.747837 Cl\n0.252162 0.747838 0.747837 Cl\n0.252162 0.747838 0.252162 Cl\n0.747838 0.252162 0.747837 Cl\n0.747838 0.747838 0.252161 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:21.661698Z",
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]
}