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{
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{
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{
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"formula_full": "Na4 Tb2 Ir3 O12",
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{
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"structure_string": "Mg4 H24 C8 O24\n1.0\n7.558490 0.000000 0.000000\n0.000000 8.536773 0.000000\n0.000000 0.000000 8.754608\nMg H C O\n4 24 8 24\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.838334 0.481740 0.115839 H\n0.930376 0.312574 0.827277 H\n0.161666 0.018260 0.615839 H\n0.154695 0.880808 0.492740 H\n0.569624 0.812574 0.172723 H\n0.069624 0.687426 0.172723 H\n0.430376 0.687426 0.672723 H\n0.930376 0.812574 0.672723 H\n0.345305 0.380808 0.507260 H\n0.661666 0.981740 0.884161 H\n0.845305 0.119192 0.507260 H\n0.338334 0.018260 0.115839 H\n0.154695 0.380808 0.007260 H\n0.661666 0.481740 0.615839 H\n0.069624 0.187426 0.327277 H\n0.569624 0.312574 0.327277 H\n0.654695 0.619192 0.492740 H\n0.845305 0.619192 0.992740 H\n0.345305 0.880808 0.992740 H\n0.161666 0.518260 0.884161 H\n0.430376 0.187426 0.827277 H\n0.838334 0.981740 0.384161 H\n0.654695 0.119192 0.007260 H\n0.338334 0.518260 0.384161 H\n0.516386 0.733228 0.261687 C\n0.483614 0.766772 0.761687 C\n0.483614 0.266772 0.738313 C\n0.016386 0.766772 0.261687 C\n0.016386 0.266772 0.238313 C\n0.983614 0.233228 0.738313 C\n0.983614 0.733228 0.761687 C\n0.516386 0.233228 0.238313 C\n0.043848 0.601094 0.720283 O\n0.772078 0.532285 0.031165 O\n0.727922 0.032285 0.968835 O\n0.978635 0.278865 0.599980 O\n0.543848 0.898906 0.720283 O\n0.272078 0.967715 0.031165 O\n0.227922 0.967715 0.531165 O\n0.456152 0.101094 0.279717 O\n0.043848 0.101094 0.779717 O\n0.272078 0.467715 0.468835 O\n0.021365 0.721135 0.400020 O\n0.543848 0.398906 0.779717 O\n0.521365 0.778865 0.400020 O\n0.021365 0.221135 0.099980 O\n0.956152 0.898906 0.220283 O\n0.956152 0.398906 0.279717 O\n0.521365 0.278865 0.099980 O\n0.727922 0.532285 0.531165 O\n0.456152 0.601094 0.220283 O\n0.227922 0.467715 0.968835 O\n0.978635 0.778865 0.900020 O\n0.478635 0.221135 0.599980 O\n0.478635 0.721135 0.900020 O\n0.772078 0.032285 0.468835 O\n",
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"formula_full": "Mg4 H24 C8 O24",
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{
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"created_at": "2022-09-04T14:46:56.643716Z",
"structure_string": "Bi4 O8\n1.0\n-2.200503 3.247958 6.482392\n2.200503 -3.247958 6.482392\n2.200503 3.247958 -6.482392\nBi O\n4 8\ndirect\n0.661250 0.376435 0.284815 Bi\n0.908379 0.123565 0.784815 Bi\n0.091621 0.876435 0.215185 Bi\n0.338750 0.623565 0.715185 Bi\n0.650872 0.223815 0.427057 O\n0.947921 0.576720 0.371201 O\n0.205519 0.076720 0.128799 O\n0.203241 0.276185 0.927057 O\n0.349128 0.776185 0.572943 O\n0.052079 0.423280 0.628799 O\n0.794481 0.923280 0.871201 O\n0.796759 0.723815 0.072943 O\n",
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{
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{
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"structure_string": "K2 Na2 La2 Ta2 O10\n1.0\n5.849138 0.000000 0.000000\n0.000000 5.849138 0.000000\n0.000000 0.000000 8.360251\nK Na La Ta O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.241067 Na\n0.000000 0.500000 0.758933 Na\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.253997 Ta\n0.500000 0.000000 0.746003 Ta\n0.000000 0.500000 0.031928 O\n0.771572 0.271572 0.324694 O\n0.228428 0.271572 0.324694 O\n0.771572 0.728428 0.324694 O\n0.228428 0.728428 0.324694 O\n0.271572 0.771572 0.675306 O\n0.728428 0.771572 0.675306 O\n0.271572 0.228428 0.675306 O\n0.728428 0.228428 0.675306 O\n0.500000 0.000000 0.968072 O\n",
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{
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"structure_string": "K6 Li4 Nb10 O30\n1.0\n12.743619 0.000000 0.000000\n0.000000 12.743619 0.000000\n0.000000 0.000000 4.171706\nK Li Nb O\n6 4 10 30\ndirect\n0.000000 0.000000 0.492982 K\n0.671919 0.171919 0.497195 K\n0.171919 0.328081 0.497195 K\n0.500000 0.500000 0.492982 K\n0.828081 0.671919 0.497195 K\n0.328081 0.828081 0.497195 K\n0.375834 0.124166 0.547029 Li\n0.875834 0.375834 0.547029 Li\n0.124166 0.624166 0.547029 Li\n0.624166 0.875834 0.547029 Li\n0.500000 0.000000 0.008096 Nb\n0.207665 0.076339 0.012726 Nb\n0.923661 0.207665 0.012726 Nb\n0.423661 0.292335 0.012726 Nb\n0.707665 0.423661 0.012726 Nb\n0.000000 0.500000 0.008096 Nb\n0.292335 0.576339 0.012726 Nb\n0.576339 0.707665 0.012726 Nb\n0.076339 0.792335 0.012726 Nb\n0.792335 0.923661 0.012726 Nb\n0.500000 0.000000 0.456904 O\n0.345750 0.003083 0.940529 O\n0.858664 0.068267 0.965769 O\n0.216332 0.080264 0.457738 O\n0.068267 0.141336 0.965769 O\n0.496917 0.154250 0.940529 O\n0.289014 0.210986 0.950694 O\n0.919736 0.216332 0.457738 O\n0.419736 0.283668 0.457738 O\n0.789014 0.289014 0.950694 O\n0.996917 0.345750 0.940529 O\n0.568267 0.358664 0.965769 O\n0.716332 0.419736 0.457738 O\n0.358664 0.431733 0.965769 O\n0.845750 0.496917 0.940529 O\n0.000000 0.500000 0.456904 O\n0.154250 0.503083 0.940529 O\n0.641336 0.568267 0.965769 O\n0.283668 0.580264 0.457738 O\n0.431733 0.641336 0.965769 O\n0.003083 0.654250 0.940529 O\n0.210986 0.710986 0.950694 O\n0.580264 0.716332 0.457738 O\n0.080264 0.783668 0.457738 O\n0.710986 0.789014 0.950694 O\n0.503083 0.845750 0.940529 O\n0.931733 0.858664 0.965769 O\n0.783668 0.919736 0.457738 O\n0.141336 0.931733 0.965769 O\n0.654250 0.996917 0.940529 O\n",
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{
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"structure_string": "Fe8 O12\n1.0\n1.509704 -4.954647 0.000000\n1.509704 4.954647 0.000000\n0.000000 0.000000 15.917065\nFe O\n8 12\ndirect\n0.634697 0.365303 0.047394 Fe\n0.365303 0.634697 0.952606 Fe\n0.634697 0.365303 0.452606 Fe\n0.365303 0.634697 0.547394 Fe\n0.096207 0.903793 0.647299 Fe\n0.903793 0.096207 0.352701 Fe\n0.903793 0.096207 0.147299 Fe\n0.096207 0.903793 0.852701 Fe\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.471294 0.528706 0.852519 O\n0.528706 0.471294 0.147481 O\n0.528706 0.471294 0.352519 O\n0.471294 0.528706 0.647481 O\n0.728113 0.271887 0.927494 O\n0.271887 0.728113 0.072506 O\n0.271887 0.728113 0.427494 O\n0.728113 0.271887 0.572506 O\n0.179443 0.820557 0.750000 O\n0.820557 0.179443 0.250000 O\n",
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{
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"volume": 165.821966449284,
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"formula_full": "Lu1 V2 Fe10",
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{
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]
}