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{
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{
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{
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{
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"updated_at": "2022-09-04T14:38:05.574305Z",
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{
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"structure_string": "Ti10 Si6\n1.0\n3.742549 -6.482286 -0.000000\n3.742549 6.482286 0.000000\n0.000000 -0.000000 5.137324\nTi Si\n10 6\ndirect\n0.333333 0.666667 0.000000 Ti\n0.666667 0.333333 0.500000 Ti\n0.666667 0.333333 0.000000 Ti\n0.333333 0.666667 0.500000 Ti\n-0.000000 0.249342 0.250000 Ti\n0.750659 -0.000000 0.749999 Ti\n0.249341 0.249341 0.749999 Ti\n0.750659 0.750659 0.250000 Ti\n0.249342 -0.000000 0.250000 Ti\n-0.000000 0.750659 0.749999 Ti\n-0.000000 0.609145 0.250000 Si\n0.390855 -0.000000 0.749999 Si\n0.609145 0.609145 0.749999 Si\n0.390855 0.390855 0.250000 Si\n0.609145 -0.000000 0.250000 Si\n-0.000000 0.390855 0.749999 Si\n",
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{
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"updated_at": "2022-09-04T14:37:57.428569Z",
"structure_string": "Ti5 Se4\n1.0\n3.389435 0.000000 0.869274\n1.694717 6.859177 0.434637\n-0.009279 -0.000000 7.078785\nTi Se\n5 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.306772 0.065217 0.321238 Ti\n0.628010 0.678762 0.065217 Ti\n0.371989 0.321238 0.934783 Ti\n0.693227 0.934783 0.678762 Ti\n0.057392 0.215543 0.669673 Se\n0.727063 0.330328 0.215543 Se\n0.272936 0.669673 0.784458 Se\n0.942607 0.784457 0.330328 Se\n",
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{
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"created_at": "2022-09-04T14:37:34.093415Z",
"updated_at": "2022-09-04T14:37:34.093441Z",
"structure_string": "Ti20 Sb12\n1.0\n7.209585 -0.000000 0.000000\n-0.000000 8.348185 0.000000\n0.000000 0.000000 10.216298\nTi Sb\n20 12\ndirect\n0.793878 0.936337 0.053800 Ti\n0.826100 0.750000 0.782097 Ti\n0.326099 0.250000 0.717903 Ti\n0.173901 0.250000 0.217903 Ti\n0.673901 0.750000 0.282097 Ti\n0.521429 0.250000 0.995578 Ti\n0.978572 0.250000 0.495578 Ti\n0.478572 0.750000 0.004422 Ti\n0.317319 0.750000 0.735513 Ti\n0.817319 0.250000 0.764487 Ti\n0.021429 0.750000 0.504422 Ti\n0.182681 0.750000 0.235513 Ti\n0.293878 0.436336 0.446200 Ti\n0.793878 0.563664 0.053800 Ti\n0.706123 0.936337 0.553800 Ti\n0.206122 0.063664 0.946200 Ti\n0.706123 0.563664 0.553800 Ti\n0.206122 0.436336 0.946200 Ti\n0.293878 0.063664 0.446200 Ti\n0.682682 0.250000 0.264487 Ti\n0.909357 0.250000 0.025936 Sb\n0.409357 0.750000 0.474065 Sb\n0.435089 0.008867 0.179021 Sb\n0.935089 0.991133 0.320979 Sb\n0.564912 0.508868 0.820979 Sb\n0.435089 0.491133 0.179021 Sb\n0.564912 0.991133 0.820979 Sb\n0.064911 0.008867 0.679021 Sb\n0.935089 0.508868 0.320979 Sb\n0.590644 0.250000 0.525936 Sb\n0.064911 0.491133 0.679021 Sb\n0.090643 0.750000 0.974065 Sb\n",
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{
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{
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"structure_string": "Ti5 Pb5 O14\n1.0\n-4.008047 7.778486 0.002205\n4.002036 3.885538 -4.150419\n-4.005514 0.000845 -4.152194\nTi Pb O\n5 5 14\ndirect\n0.601511 0.296228 0.212176 Ti\n0.405827 0.685217 0.821578 Ti\n0.798657 0.903717 0.604853 Ti\n0.994112 0.511699 0.004009 Ti\n0.190600 0.122894 0.384318 Ti\n0.795527 0.416767 0.627291 Pb\n0.392028 0.207947 0.813232 Pb\n0.201702 0.637722 0.432800 Pb\n0.576879 0.815142 0.245830 Pb\n0.989394 0.015774 0.013870 Pb\n0.110564 0.281733 0.157079 O\n0.413576 0.167319 0.270026 O\n0.813626 0.372011 0.059846 O\n0.608525 0.776697 0.661981 O\n0.115947 0.267399 0.668866 O\n0.211956 0.580597 0.856933 O\n0.912116 0.676669 0.762473 O\n0.515293 0.468658 0.477222 O\n0.510932 0.473306 0.975252 O\n0.712711 0.074993 0.367345 O\n0.306035 0.888721 0.048894 O\n0.711820 0.078106 0.864753 O\n0.908465 0.679471 0.266640 O\n0.014908 0.975808 0.464615 O\n",
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{
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"structure_string": "Ti5 Nb1 O12\n1.0\n-4.668105 4.668105 2.997489\n0.010920 4.678158 -2.996125\n-4.678158 -0.010920 -2.996125\nTi Nb O\n5 1 12\ndirect\n0.836936 0.661313 0.661313 Ti\n0.674306 0.337811 0.337811 Ti\n0.325696 0.662189 0.662189 Ti\n0.163066 0.338687 0.338687 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Nb\n0.669796 0.631225 0.029210 O\n0.000001 0.303860 0.696139 O\n0.371238 0.433628 0.433628 O\n0.033748 0.768963 0.768963 O\n0.704954 0.102421 0.102421 O\n0.966254 0.231036 0.231036 O\n0.295048 0.897579 0.897579 O\n0.330206 0.970789 0.368775 O\n0.330206 0.368775 0.970789 O\n0.669796 0.029210 0.631225 O\n0.628764 0.566371 0.566371 O\n0.000001 0.696139 0.303860 O\n",
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{
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"structure_string": "Ti10 Ga8\n1.0\n3.930338 -6.807546 0.000000\n3.930338 6.807546 0.000000\n-0.000000 0.000000 5.389113\nTi Ga\n10 8\ndirect\n0.333333 0.666667 0.000000 Ti\n0.714428 -0.000000 0.750000 Ti\n-0.000000 0.285573 0.250000 Ti\n-0.000000 0.714428 0.750000 Ti\n0.285573 0.285573 0.750000 Ti\n0.714427 0.714427 0.250000 Ti\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.000000 Ti\n0.666667 0.333333 0.500000 Ti\n0.285573 -0.000000 0.250000 Ti\n0.377533 0.377533 0.250000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.622467 -0.000000 0.250000 Ga\n0.622467 0.622467 0.750000 Ga\n-0.000000 0.377533 0.750000 Ga\n-0.000000 0.622467 0.250000 Ga\n0.377533 -0.000000 0.750000 Ga\n",
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{
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"structure_string": "Ti10 Fe2 Sb4\n1.0\n4.828759 -0.000000 1.704592\n2.414379 7.394749 0.852296\n-0.047158 0.000000 7.825325\nTi Fe Sb\n10 2 4\ndirect\n0.568642 0.733859 0.128857 Ti\n0.431358 0.266141 0.871144 Ti\n0.250000 0.500000 0.500001 Ti\n0.750000 0.500000 0.500000 Ti\n0.697499 0.871143 0.733860 Ti\n0.302501 0.128857 0.266141 Ti\n0.931358 0.871143 0.266141 Ti\n0.197499 0.733859 0.871144 Ti\n0.068642 0.128857 0.733860 Ti\n0.802501 0.266141 0.128857 Ti\n0.250000 0.000000 -0.000000 Fe\n0.750000 0.000000 -0.000000 Fe\n0.335854 0.828292 0.500001 Sb\n0.164146 0.500000 0.171709 Sb\n0.664146 0.171709 0.500000 Sb\n0.835854 0.500000 0.828292 Sb\n",
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}
]
}