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{
"id": "jvasp-8659",
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"structure_string": "Rb2 Sn1 I6\n1.0\n7.066192 0.000000 4.079668\n2.355397 6.662069 4.079668\n0.000000 0.000000 8.159336\nRb Sn I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sn\n0.748742 0.251258 0.251259 I\n0.748742 0.748742 0.251259 I\n0.251258 0.251258 0.748742 I\n0.748742 0.251258 0.748742 I\n0.251259 0.748742 0.251259 I\n0.251259 0.748742 0.748742 I\n",
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"structure_string": "Na12 Mn4 O12\n1.0\n0.000000 5.984912 0.012445\n10.764406 0.000000 0.000000\n0.000000 -0.192165 -5.962460\nNa Mn O\n12 4 12\ndirect\n0.904361 0.775586 0.052055 Na\n0.853835 0.002805 0.353457 Na\n0.980640 0.280093 0.497504 Na\n0.404361 0.724415 0.052054 Na\n0.519358 0.780093 0.502497 Na\n0.353835 0.497195 0.353457 Na\n0.646164 0.502805 0.646544 Na\n0.480640 0.219907 0.497504 Na\n0.595638 0.275586 0.947946 Na\n0.019359 0.719908 0.502496 Na\n0.146164 0.997195 0.646544 Na\n0.095638 0.224414 0.947946 Na\n0.170566 0.501461 0.834845 Mn\n0.670565 0.998540 0.834845 Mn\n0.329433 0.001461 0.165155 Mn\n0.829433 0.498539 0.165156 Mn\n0.603196 0.911449 0.109702 O\n0.675387 0.370655 0.296864 O\n0.693999 0.628447 0.307680 O\n0.806000 0.128447 0.692321 O\n0.824612 0.870656 0.703137 O\n0.896803 0.411449 0.890299 O\n0.103196 0.588552 0.109702 O\n0.175387 0.129345 0.296864 O\n0.193999 0.871554 0.307680 O\n0.306000 0.371553 0.692321 O\n0.324612 0.629345 0.703136 O\n0.396803 0.088551 0.890299 O\n",
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{
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"created_at": "2022-09-04T14:36:49.689018Z",
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"structure_string": "Rb3 Pr1 Cl6\n1.0\n7.065990 -0.000000 4.079551\n2.355330 6.661879 4.079551\n-0.000000 -0.000000 8.159102\nRb Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pr\n0.763093 0.236907 0.236906 Cl\n0.236906 0.236906 0.763092 Cl\n0.236906 0.763093 0.763092 Cl\n0.236906 0.763094 0.236906 Cl\n0.763093 0.236907 0.763093 Cl\n0.763094 0.763094 0.236906 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:36.066360Z",
"structure_string": "Nb1 W5 Se12\n1.0\n-1.845322 -2.805195 -0.000066\n6.370002 -6.199814 -0.000130\n-1.508232 3.002023 13.102956\nNb W Se\n1 5 12\ndirect\n0.692843 0.364487 0.750001 Nb\n0.972140 0.305515 0.250000 W\n0.363340 0.023522 0.749999 W\n0.305437 0.638869 0.249942 W\n0.027134 0.695939 0.750001 W\n0.638791 0.972279 0.250057 W\n0.818515 0.485181 0.122452 Se\n0.903492 0.570211 0.377365 Se\n0.515535 0.847077 0.877891 Se\n0.765251 0.092114 0.622450 Se\n0.485181 0.151926 0.122532 Se\n0.570205 0.236952 0.377535 Se\n0.850314 0.177158 0.877547 Se\n0.236884 0.903571 0.377503 Se\n0.151859 0.818659 0.122613 Se\n0.430245 0.761800 0.622111 Se\n0.092863 0.433835 0.619420 Se\n0.179951 0.520900 0.880581 Se\n",
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{
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"structure_string": "Ba4 V2 Si4 O16\n1.0\n5.255267 0.000000 0.000000\n0.000000 8.548265 0.000000\n0.000000 0.000000 8.548265\nBa V Si O\n4 2 4 16\ndirect\n0.999321 0.328578 0.828577 Ba\n0.999321 0.828577 0.671422 Ba\n0.999321 0.671422 0.171422 Ba\n0.999321 0.171422 0.328578 Ba\n0.536558 0.000000 0.000000 V\n0.536558 0.500000 0.500000 V\n0.519855 0.129736 0.629736 Si\n0.519855 0.370264 0.129736 Si\n0.519855 0.629736 0.870263 Si\n0.519855 0.870263 0.370264 Si\n0.214255 0.871876 0.371876 O\n0.214255 0.628124 0.871876 O\n0.214255 0.371876 0.128124 O\n0.221836 0.500000 0.500000 O\n0.634390 0.000000 0.500000 O\n0.653265 0.295033 0.577597 O\n0.653265 0.422402 0.295033 O\n0.653265 0.577597 0.704967 O\n0.653265 0.704967 0.422402 O\n0.653265 0.204967 0.077598 O\n0.653265 0.795032 0.922402 O\n0.653265 0.922402 0.204967 O\n0.653265 0.077598 0.795032 O\n0.221836 0.000000 0.000000 O\n0.634390 0.500000 0.000000 O\n0.214255 0.128124 0.628124 O\n",
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{
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"structure_string": "Ba4 Re4 N12\n1.0\n-3.212899 5.194850 -0.964306\n-6.054291 -5.186659 -0.097502\n-0.027330 0.038923 7.972648\nBa Re N\n4 4 12\ndirect\n0.750000 0.328142 0.671858 Ba\n0.250000 0.098923 0.901077 Ba\n0.250000 0.671858 0.328142 Ba\n0.750000 0.901077 0.098923 Ba\n0.238639 0.203667 0.370217 Re\n0.261360 0.629783 0.796333 Re\n0.738640 0.370217 0.203666 Re\n0.761360 0.796333 0.629783 Re\n0.016273 0.682154 0.640219 N\n0.820544 0.578711 0.144099 N\n0.179455 0.421289 0.855901 N\n0.320544 0.144099 0.578711 N\n0.679388 0.235057 0.018326 N\n0.516273 0.640219 0.682154 N\n0.820611 0.981674 0.764943 N\n0.483727 0.359781 0.317846 N\n0.983727 0.317847 0.359781 N\n0.320611 0.764944 0.981674 N\n0.679455 0.855901 0.421289 N\n0.179388 0.018326 0.235056 N\n",
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{
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"created_at": "2022-09-04T14:37:44.891182Z",
"updated_at": "2022-09-04T14:37:44.891202Z",
"structure_string": "Mn6 Al20\n1.0\n3.766152 -6.523166 0.000000\n3.766152 6.523166 0.000000\n-0.000000 0.000000 7.814368\nMn Al\n6 20\ndirect\n0.121746 0.243492 0.250000 Mn\n0.878254 0.121745 0.750000 Mn\n0.243492 0.121746 0.750000 Mn\n0.756508 0.878254 0.250000 Mn\n0.121745 0.878254 0.250000 Mn\n0.878254 0.756508 0.750000 Mn\n0.600123 0.800062 0.564959 Al\n0.399876 0.199938 0.064959 Al\n0.800062 0.600123 0.435041 Al\n0.800062 0.199938 0.064959 Al\n0.800062 0.600123 0.064959 Al\n0.199938 0.800062 0.935041 Al\n0.600123 0.800062 0.935041 Al\n0.399876 0.199938 0.435041 Al\n0.800062 0.199938 0.435041 Al\n0.457105 0.542894 0.250000 Al\n0.542895 0.085790 0.750000 Al\n0.199938 0.399876 0.564959 Al\n0.085790 0.542895 0.250000 Al\n0.914210 0.457105 0.750000 Al\n0.542894 0.457105 0.750000 Al\n0.457105 0.914210 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.199938 0.399876 0.935041 Al\n0.199938 0.800062 0.564959 Al\n",
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{
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"structure_string": "Te4 Mo3 W1 Se4\n1.0\n3.442737 0.000000 0.000000\n-1.721368 2.981488 0.000007\n0.000000 0.000084 37.401573\nTe Mo W Se\n4 3 1 4\ndirect\n0.333317 0.666634 0.328184 Te\n0.666677 0.333352 0.422904 Te\n0.666674 0.333347 0.522358 Te\n0.333320 0.666639 0.228724 Te\n0.333315 0.666631 0.095110 Mo\n0.333343 0.666686 0.472646 Mo\n0.666651 0.333301 0.278444 Mo\n0.666694 0.333387 0.656715 W\n0.333358 0.666716 0.700578 Se\n0.666648 0.333294 0.051427 Se\n0.666645 0.333289 0.138881 Se\n0.333360 0.666721 0.612777 Se\n",
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{
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"structure_string": "Na12 N4 O8\n1.0\n6.455452 -0.000000 0.000000\n0.000000 6.455452 0.000000\n0.000000 0.000000 9.211634\nNa N O\n12 4 8\ndirect\n0.000000 0.500000 0.000000 Na\n0.762869 0.237131 0.747671 Na\n0.737131 0.737131 0.752329 Na\n0.262869 0.262869 0.752329 Na\n0.237131 0.762869 0.747671 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.762869 0.237131 0.252329 Na\n0.737131 0.737131 0.247671 Na\n0.262869 0.262869 0.247671 Na\n0.237131 0.762869 0.252329 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.882735 N\n0.500000 0.500000 0.617264 N\n0.500000 0.500000 0.382735 N\n0.000000 0.000000 0.117264 N\n0.500000 0.000000 0.750000 O\n0.117271 0.117271 0.000000 O\n0.500000 0.000000 0.250000 O\n0.000000 0.500000 0.250000 O\n0.382729 0.617271 0.500000 O\n0.617271 0.382729 0.500000 O\n0.000000 0.500000 0.750000 O\n0.882728 0.882728 0.000000 O\n",
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{
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{
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"structure_string": "K4 Rb4 S4\n1.0\n4.983263 0.000000 0.000000\n-0.000000 8.175303 0.000000\n0.000000 0.000000 9.416222\nK Rb S\n4 4 4\ndirect\n0.750000 0.648923 0.424856 K\n0.250000 0.351076 0.575144 K\n0.750000 0.148924 0.075144 K\n0.250000 0.851076 0.924855 K\n0.250000 0.978164 0.319830 Rb\n0.750000 0.021836 0.680170 Rb\n0.250000 0.478164 0.180170 Rb\n0.750000 0.521836 0.819830 Rb\n0.250000 0.736798 0.608830 S\n0.750000 0.263202 0.391170 S\n0.250000 0.236798 0.891170 S\n0.750000 0.763202 0.108830 S\n",
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}