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{
"id": "mp-20830",
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"structure_string": "In2 Se3\n1.0\n8.699162 -2.067593 0.000000\n8.699162 2.067593 0.000000\n8.207742 0.000000 3.547299\nIn Se\n2 3\ndirect\n0.792487 0.792487 0.792487 In\n0.207513 0.207513 0.207513 In\n0.601365 0.601365 0.601365 Se\n0.398635 0.398635 0.398635 Se\n0.000000 0.000000 0.000000 Se\n",
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{
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"structure_string": "Ca28 Ge4 N24\n1.0\n6.212284 0.000000 0.000000\n0.000000 10.907620 0.000000\n0.000000 0.000000 13.198626\nCa Ge N\n28 4 24\ndirect\n0.391324 0.295352 0.616956 Ca\n0.143850 0.771620 0.626252 Ca\n0.230826 0.462029 0.021024 Ca\n0.058204 0.500000 0.750000 Ca\n0.230826 0.537971 0.478976 Ca\n0.441796 0.000000 0.250000 Ca\n0.391324 0.704648 0.883044 Ca\n0.356150 0.271620 0.373748 Ca\n0.143850 0.228380 0.873748 Ca\n0.769174 0.537971 0.978976 Ca\n0.891324 0.204648 0.616956 Ca\n0.856150 0.771620 0.126252 Ca\n0.269174 0.962029 0.978976 Ca\n0.608676 0.704648 0.383044 Ca\n0.108676 0.204648 0.116956 Ca\n0.891324 0.795352 0.883044 Ca\n0.730826 0.037971 0.021024 Ca\n0.643850 0.728380 0.626252 Ca\n0.608676 0.295352 0.116956 Ca\n0.269174 0.037971 0.521024 Ca\n0.558204 0.000000 0.750000 Ca\n0.730826 0.962029 0.478976 Ca\n0.108676 0.795352 0.383044 Ca\n0.769174 0.462029 0.521024 Ca\n0.856150 0.228380 0.373748 Ca\n0.941796 0.500000 0.250000 Ca\n0.356150 0.728380 0.126252 Ca\n0.643850 0.271620 0.873748 Ca\n0.433570 0.500000 0.250000 Ge\n0.933570 0.000000 0.250000 Ge\n0.566430 0.500000 0.750000 Ge\n0.066430 0.000000 0.750000 Ge\n0.388204 0.451203 0.859454 N\n0.746489 0.367334 0.706543 N\n0.753511 0.132666 0.206543 N\n0.906384 0.333583 0.994104 N\n0.253511 0.367334 0.206543 N\n0.746489 0.632666 0.793457 N\n0.906384 0.666417 0.505896 N\n0.406384 0.166417 0.994104 N\n0.753511 0.867334 0.293457 N\n0.253511 0.632666 0.293457 N\n0.388204 0.548797 0.640546 N\n0.593616 0.166417 0.494104 N\n0.611796 0.548797 0.140546 N\n0.093616 0.333583 0.494104 N\n0.611796 0.451203 0.359454 N\n0.111796 0.951203 0.140546 N\n0.593616 0.833583 0.005896 N\n0.246489 0.132666 0.706543 N\n0.093616 0.666417 0.005896 N\n0.246489 0.867334 0.793457 N\n0.406384 0.833583 0.505896 N\n0.888204 0.048797 0.859454 N\n0.111796 0.048797 0.359454 N\n0.888204 0.951203 0.640546 N\n",
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{
"id": "mp-1147618",
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"structure_string": "K12 Zn2 S8\n1.0\n4.942935 -8.561414 0.000000\n4.942935 8.561414 0.000000\n0.000000 0.000000 7.695349\nK Zn S\n12 2 8\ndirect\n0.293397 0.146699 0.954566 K\n0.853301 0.706603 0.954566 K\n0.853301 0.146699 0.954566 K\n0.706603 0.853301 0.454566 K\n0.146699 0.293397 0.454566 K\n0.146699 0.853301 0.454566 K\n0.056334 0.528167 0.134480 K\n0.471833 0.943666 0.134480 K\n0.471833 0.528167 0.134480 K\n0.943666 0.471833 0.634480 K\n0.528167 0.056334 0.634480 K\n0.528167 0.471833 0.634480 K\n0.666667 0.333333 0.249536 Zn\n0.333333 0.666667 0.749536 Zn\n0.666667 0.333333 0.932832 S\n0.333333 0.666667 0.432832 S\n0.395185 0.197593 0.347800 S\n0.802407 0.604815 0.347800 S\n0.802407 0.197593 0.347800 S\n0.604815 0.802407 0.847800 S\n0.197593 0.395185 0.847800 S\n0.197593 0.802407 0.847800 S\n",
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{
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"structure_string": "Zr3 N1\n1.0\n-1.942728 1.942728 4.846156\n1.942728 -1.942728 4.846156\n1.942728 1.942728 -4.846156\nZr N\n3 1\ndirect\n0.750001 0.250000 0.500001 Zr\n0.250000 0.750001 0.500001 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-707787",
"created_at": "2022-09-04T14:48:19.838096Z",
"structure_string": "Na12 Te2 P12 H24 O60\n1.0\n5.869423 -10.166138 0.000000\n5.869423 10.166138 0.000000\n0.000000 0.000000 11.966915\nNa Te P H O\n12 2 12 24 60\ndirect\n0.431940 0.868969 0.250000 Na\n0.437029 0.568060 0.250000 Na\n0.131031 0.562971 0.250000 Na\n0.568060 0.131031 0.750000 Na\n0.562971 0.431940 0.750000 Na\n0.868969 0.437029 0.750000 Na\n0.725806 0.844506 0.250000 Na\n0.118700 0.274194 0.250000 Na\n0.155494 0.881300 0.250000 Na\n0.274194 0.155494 0.750000 Na\n0.881300 0.725806 0.750000 Na\n0.844506 0.118700 0.750000 Na\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.250265 0.501278 0.005989 P\n0.251013 0.749735 0.005989 P\n0.498722 0.748987 0.005989 P\n0.749735 0.498722 0.505989 P\n0.748987 0.250265 0.505989 P\n0.501278 0.251013 0.505989 P\n0.749735 0.498722 0.994011 P\n0.748987 0.250265 0.994011 P\n0.501278 0.251013 0.994011 P\n0.250265 0.501278 0.494011 P\n0.251013 0.749735 0.494011 P\n0.498722 0.748987 0.494011 P\n0.697933 0.601767 0.315114 H\n0.903834 0.302067 0.315114 H\n0.398233 0.096166 0.315114 H\n0.302067 0.398233 0.815114 H\n0.096166 0.697933 0.815114 H\n0.601767 0.903834 0.815114 H\n0.302067 0.398233 0.684886 H\n0.096166 0.697933 0.684886 H\n0.601767 0.903834 0.684886 H\n0.697933 0.601767 0.184886 H\n0.903834 0.302067 0.184886 H\n0.398233 0.096166 0.184886 H\n0.848433 0.776448 0.425992 H\n0.928015 0.151567 0.425992 H\n0.223552 0.071985 0.425992 H\n0.151567 0.223552 0.925992 H\n0.071985 0.848433 0.925992 H\n0.776448 0.928015 0.925992 H\n0.151567 0.223552 0.574008 H\n0.071985 0.848433 0.574008 H\n0.776448 0.928015 0.574008 H\n0.848433 0.776448 0.074008 H\n0.928015 0.151567 0.074008 H\n0.223552 0.071985 0.074008 H\n0.237711 0.760213 0.369760 O\n0.522503 0.762289 0.369760 O\n0.239787 0.477497 0.369760 O\n0.762289 0.239787 0.869760 O\n0.477497 0.237711 0.869760 O\n0.760213 0.522503 0.869760 O\n0.762289 0.239787 0.630240 O\n0.477497 0.237711 0.630240 O\n0.760213 0.522503 0.630240 O\n0.237711 0.760213 0.130240 O\n0.522503 0.762289 0.130240 O\n0.239787 0.477497 0.130240 O\n0.189787 0.594827 0.973129 O\n0.405039 0.810213 0.973129 O\n0.405173 0.594961 0.973129 O\n0.810213 0.405173 0.473129 O\n0.594961 0.189787 0.473129 O\n0.594827 0.405039 0.473129 O\n0.810213 0.405173 0.026871 O\n0.594961 0.189787 0.026871 O\n0.594827 0.405039 0.026871 O\n0.189787 0.594827 0.526871 O\n0.405039 0.810213 0.526871 O\n0.405173 0.594961 0.526871 O\n0.193960 0.387653 0.926226 O\n0.193693 0.806040 0.926226 O\n0.612347 0.806307 0.926226 O\n0.806040 0.612347 0.426226 O\n0.806307 0.193960 0.426226 O\n0.387653 0.193693 0.426226 O\n0.806040 0.612347 0.073774 O\n0.806307 0.193960 0.073774 O\n0.387653 0.193693 0.073774 O\n0.193960 0.387653 0.573774 O\n0.193693 0.806040 0.573774 O\n0.612347 0.806307 0.573774 O\n0.863750 0.865731 0.405159 O\n0.001981 0.136250 0.405159 O\n0.134269 0.998019 0.405159 O\n0.136250 0.134269 0.905159 O\n0.998019 0.863750 0.905159 O\n0.865731 0.001981 0.905159 O\n0.136250 0.134269 0.594841 O\n0.998019 0.863750 0.594841 O\n0.865731 0.001981 0.594841 O\n0.863750 0.865731 0.094841 O\n0.001981 0.136250 0.094841 O\n0.134269 0.998019 0.094841 O\n0.654457 0.615896 0.250000 O\n0.961439 0.345543 0.250000 O\n0.384104 0.038561 0.250000 O\n0.345543 0.384104 0.750000 O\n0.038561 0.654457 0.750000 O\n0.615896 0.961439 0.750000 O\n0.971391 0.649520 0.250000 O\n0.678129 0.028609 0.250000 O\n0.350480 0.321871 0.250000 O\n0.028609 0.350480 0.750000 O\n0.321871 0.971391 0.750000 O\n0.649520 0.678129 0.750000 O\n",
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"formula_full": "Na12 Te2 P12 H24 O60",
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{
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"structure_string": "Cd1 Pd1 C6 N6\n1.0\n0.000000 5.527185 5.527185\n5.527185 0.000000 5.527185\n5.527185 5.527185 0.000000\nCd Pd C N\n1 1 6 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Pd\n0.317333 0.317333 0.682667 C\n0.682667 0.317333 0.682667 C\n0.317333 0.682667 0.317333 C\n0.682667 0.317333 0.317333 C\n0.317333 0.682667 0.682667 C\n0.682667 0.682667 0.317333 C\n0.211945 0.788055 0.788055 N\n0.788055 0.788055 0.211945 N\n0.788055 0.211945 0.788055 N\n0.211945 0.788055 0.211945 N\n0.211945 0.211945 0.788055 N\n0.788055 0.211945 0.211945 N\n",
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"formula_full": "Cd1 Pd1 C6 N6",
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{
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"structure_string": "Rb4 Ga4 Ag4 F24\n1.0\n7.258657 0.000000 0.000000\n0.000000 7.664342 0.000000\n0.000000 0.000000 10.600618\nRb Ga Ag F\n4 4 4 24\ndirect\n0.016285 0.250000 0.633989 Rb\n0.983715 0.750000 0.366011 Rb\n0.483715 0.750000 0.133989 Rb\n0.516285 0.250000 0.866011 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.211898 0.250000 0.251677 Ag\n0.788102 0.750000 0.748323 Ag\n0.288102 0.750000 0.751677 Ag\n0.711898 0.250000 0.248323 Ag\n0.281520 0.034694 0.405597 F\n0.718480 0.965306 0.594403 F\n0.218480 0.965306 0.905597 F\n0.718480 0.534694 0.594403 F\n0.781520 0.034694 0.094403 F\n0.281520 0.465306 0.405597 F\n0.781520 0.465306 0.094403 F\n0.218480 0.534694 0.905597 F\n0.552149 0.250000 0.504563 F\n0.447851 0.750000 0.495437 F\n0.947851 0.750000 0.004563 F\n0.052149 0.250000 0.995437 F\n0.140667 0.517299 0.152914 F\n0.859333 0.482701 0.847086 F\n0.359333 0.482701 0.652914 F\n0.859333 0.017299 0.847086 F\n0.640667 0.517299 0.347086 F\n0.140667 0.982701 0.152914 F\n0.640667 0.982701 0.347086 F\n0.359333 0.017299 0.652914 F\n0.459924 0.250000 0.150883 F\n0.540076 0.750000 0.849117 F\n0.040076 0.750000 0.650883 F\n0.959924 0.250000 0.349117 F\n",
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{
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"structure_string": "Co4 O8\n1.0\n-4.875211 0.078992 2.881849\n1.548342 4.623651 2.878404\n1.595932 4.560890 -2.803308\nCo O\n4 8\ndirect\n0.500013 0.000015 0.000030 Co\n0.500014 0.000015 0.499969 Co\n0.500015 0.499959 0.000029 Co\n0.999959 0.000016 0.499972 Co\n0.265116 0.767529 0.973337 O\n0.259062 0.208439 0.526554 O\n0.734882 0.232472 0.026665 O\n0.732467 0.235071 0.473291 O\n0.740927 0.791572 0.473435 O\n0.291764 0.240950 0.026576 O\n0.267532 0.764929 0.526704 O\n0.708245 0.759040 0.973433 O\n",
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