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{
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{
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{
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{
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"structure_string": "Cu20 Si16 O56\n1.0\n5.402163 0.000000 0.000000\n0.000000 9.834436 0.000000\n0.000000 0.000000 20.086711\nCu Si O\n20 16 56\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.950312 0.171793 0.475871 Cu\n0.549688 0.671793 0.524129 Cu\n0.450312 0.828207 0.024129 Cu\n0.049688 0.328207 0.975871 Cu\n0.049688 0.828207 0.524129 Cu\n0.450312 0.328207 0.475871 Cu\n0.549688 0.171793 0.975871 Cu\n0.950312 0.671793 0.024129 Cu\n0.020118 0.251092 0.220294 Cu\n0.479882 0.751092 0.779706 Cu\n0.520118 0.748908 0.279706 Cu\n0.979882 0.248908 0.720294 Cu\n0.979882 0.748908 0.779706 Cu\n0.520118 0.248908 0.220294 Cu\n0.479882 0.251092 0.720294 Cu\n0.020118 0.751092 0.279706 Cu\n0.264161 0.100743 0.344408 Si\n0.235839 0.600743 0.655592 Si\n0.764161 0.899257 0.155592 Si\n0.735839 0.399257 0.844408 Si\n0.735839 0.899257 0.655592 Si\n0.764161 0.399257 0.344408 Si\n0.235839 0.100743 0.844408 Si\n0.264161 0.600743 0.155592 Si\n0.274491 0.548994 0.365772 Si\n0.225509 0.048994 0.634228 Si\n0.774491 0.451006 0.134228 Si\n0.725509 0.951006 0.865772 Si\n0.725509 0.451006 0.634228 Si\n0.774491 0.951006 0.365772 Si\n0.225509 0.548994 0.865772 Si\n0.274491 0.048994 0.134228 Si\n0.523806 0.495375 0.327156 O\n0.976194 0.995375 0.672844 O\n0.023806 0.504625 0.172844 O\n0.476194 0.004625 0.827156 O\n0.476194 0.504625 0.672844 O\n0.023806 0.004625 0.327156 O\n0.976194 0.495375 0.827156 O\n0.523806 0.995375 0.172844 O\n0.241191 0.154694 0.420383 O\n0.258809 0.654694 0.579617 O\n0.741191 0.845306 0.079617 O\n0.758809 0.345306 0.920383 O\n0.758809 0.845306 0.579617 O\n0.741191 0.345306 0.420383 O\n0.258809 0.154694 0.920383 O\n0.241191 0.654694 0.079617 O\n0.297036 0.508371 0.445638 O\n0.202964 0.008371 0.554362 O\n0.797036 0.491629 0.054362 O\n0.702964 0.991629 0.945638 O\n0.702964 0.491629 0.554362 O\n0.797036 0.991629 0.445638 O\n0.202964 0.508371 0.945638 O\n0.297036 0.008371 0.054362 O\n0.270649 0.218497 0.286212 O\n0.229351 0.718497 0.713788 O\n0.770649 0.781503 0.213788 O\n0.729351 0.281503 0.786212 O\n0.729351 0.781503 0.713788 O\n0.770649 0.281503 0.286212 O\n0.229351 0.218497 0.786212 O\n0.270649 0.718497 0.213788 O\n0.267088 0.711471 0.346437 O\n0.232912 0.211471 0.653563 O\n0.767088 0.288529 0.153563 O\n0.732912 0.788529 0.846437 O\n0.732912 0.288529 0.653563 O\n0.767088 0.788529 0.346437 O\n0.232912 0.711471 0.846437 O\n0.267088 0.211471 0.153563 O\n0.521257 0.015303 0.334139 O\n0.978743 0.515303 0.665861 O\n0.021257 0.984697 0.165861 O\n0.478743 0.484697 0.834139 O\n0.478743 0.984697 0.665861 O\n0.021257 0.484697 0.334139 O\n0.978743 0.015303 0.834139 O\n0.521257 0.515303 0.165861 O\n0.376392 0.321909 0.017745 O\n0.123608 0.821909 0.982255 O\n0.876392 0.678091 0.482255 O\n0.623608 0.178091 0.517745 O\n0.623608 0.678091 0.982255 O\n0.876392 0.178091 0.017745 O\n0.123608 0.321909 0.517745 O\n0.376392 0.821909 0.482255 O\n",
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{
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{
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{
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"formula_full": "Pu2 Zn4",
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},
{
"id": "mp-867191",
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{
"id": "mp-1224889",
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"structure_string": "Ga1 Fe4\n1.0\n0.000000 2.067546 9.947205\n1.479923 0.000000 9.947205\n1.479923 2.067546 0.000000\nGa Fe\n1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.398371 0.398371 0.601629 Fe\n0.799895 0.799895 0.200105 Fe\n0.200105 0.200105 0.799895 Fe\n0.601629 0.601629 0.398371 Fe\n",
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"elements": [
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"density": 7.995469971563827,
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"formula_full": "Ga1 Fe4",
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},
{
"id": "mp-767071",
"created_at": "2022-09-04T14:44:18.348247Z",
"structure_string": "Li8 Co4 C8 O24\n1.0\n-1.040602 2.088548 4.672852\n-7.964401 4.148968 -5.095099\n-7.448702 -6.474185 -0.024902\nLi Co C O\n8 4 8 24\ndirect\n0.617410 0.653953 0.187626 Li\n0.117182 0.153218 0.687884 Li\n0.335491 0.812994 0.846775 Li\n0.835488 0.313286 0.345900 Li\n0.618838 0.495369 0.867552 Li\n0.120225 0.994220 0.367900 Li\n0.570938 0.227508 0.898464 Li\n0.070795 0.726570 0.398916 Li\n0.638498 0.002388 0.497425 Co\n0.985205 0.985165 0.016705 Co\n0.137713 0.502548 0.997676 Co\n0.485955 0.484707 0.516940 Co\n0.054234 0.690196 0.096990 C\n0.554267 0.190018 0.596567 C\n0.302640 0.409012 0.306289 C\n0.803794 0.908775 0.806306 C\n0.246390 0.599804 0.689228 C\n0.747223 0.099801 0.188990 C\n0.082848 0.297567 0.904561 C\n0.584127 0.797146 0.404863 C\n0.001834 0.775219 0.160898 O\n0.501523 0.275137 0.660397 O\n0.161652 0.421909 0.401042 O\n0.662238 0.920533 0.901332 O\n0.287945 0.679851 0.071569 O\n0.788102 0.179906 0.571201 O\n0.554492 0.433697 0.330306 O\n0.055530 0.934378 0.830347 O\n0.867529 0.610363 0.057007 O\n0.367813 0.109933 0.556934 O\n0.197574 0.373875 0.198107 O\n0.699750 0.873948 0.697794 O\n0.238645 0.634479 0.807153 O\n0.737373 0.134548 0.306564 O\n0.466546 0.556174 0.677406 O\n0.967933 0.056109 0.177880 O\n0.314797 0.349808 0.925428 O\n0.815821 0.849881 0.425533 O\n0.890175 0.361014 0.918906 O\n0.391033 0.860123 0.419335 O\n0.561150 0.106570 0.094900 O\n0.059152 0.606716 0.595808 O\n0.035290 0.184849 0.870724 O\n0.537753 0.684347 0.371085 O\n",
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],
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"density_atomic": 0.0882397222918249,
"volume": 498.6416418501857,
"volume_molar": 6.8247503545893755,
"formula_full": "Li8 Co4 C8 O24",
"formula_reduced": "Li2Co(CO3)2",
"formula_anonymous": "AB2C2D6",
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"updated_at": "2021-11-28T01:36:40.889000Z",
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}
]
}