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{
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"structure_string": "Al4 H72 N12 O72\n1.0\n9.660778 0.000000 0.000000\n0.000000 10.974917 0.000000\n0.000000 1.386118 13.904023\nAl H N O\n4 72 12 72\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.649934 0.570261 0.852118 H\n0.149934 0.929739 0.147882 H\n0.350066 0.429739 0.147882 H\n0.850066 0.070261 0.852118 H\n0.699866 0.431957 0.896465 H\n0.199866 0.068043 0.103535 H\n0.300134 0.568043 0.103535 H\n0.800134 0.931957 0.896465 H\n0.414950 0.724954 0.949024 H\n0.914950 0.775046 0.050976 H\n0.585050 0.275046 0.050976 H\n0.085050 0.224954 0.949024 H\n0.355889 0.633182 0.873843 H\n0.855889 0.866818 0.126157 H\n0.644111 0.366818 0.126157 H\n0.144111 0.133182 0.873843 H\n0.423644 0.369643 0.864716 H\n0.923644 0.130357 0.135284 H\n0.576356 0.630357 0.135284 H\n0.076356 0.869643 0.864716 H\n0.294027 0.380471 0.941359 H\n0.794027 0.119529 0.058641 H\n0.705973 0.619529 0.058641 H\n0.205973 0.880471 0.941359 H\n0.647538 0.068683 0.350056 H\n0.147538 0.431317 0.649944 H\n0.352462 0.931317 0.649944 H\n0.852462 0.568683 0.350056 H\n0.690205 0.926467 0.387612 H\n0.190205 0.573533 0.612388 H\n0.309795 0.073533 0.612388 H\n0.809795 0.426467 0.387612 H\n0.409229 0.221059 0.439744 H\n0.909229 0.278941 0.560256 H\n0.590771 0.778941 0.560256 H\n0.090771 0.721059 0.439744 H\n0.368241 0.122589 0.365139 H\n0.868241 0.377411 0.634861 H\n0.631759 0.877411 0.634861 H\n0.131759 0.622589 0.365139 H\n0.420352 0.817347 0.403613 H\n0.920352 0.682653 0.596387 H\n0.579648 0.182653 0.596387 H\n0.079648 0.317347 0.403613 H\n0.288020 0.884581 0.445722 H\n0.788020 0.615419 0.554278 H\n0.711980 0.115419 0.554278 H\n0.211980 0.384581 0.445722 H\n0.070310 0.431171 0.922737 H\n0.570310 0.068829 0.077263 H\n0.929690 0.568829 0.077263 H\n0.429690 0.931171 0.922737 H\n0.101773 0.390055 0.032282 H\n0.601773 0.109945 0.967718 H\n0.898227 0.609945 0.967718 H\n0.398227 0.890055 0.032282 H\n0.066747 0.922026 0.399550 H\n0.566747 0.577974 0.600450 H\n0.933253 0.077974 0.600450 H\n0.433253 0.422026 0.399550 H\n0.065638 0.879849 0.511680 H\n0.565638 0.620151 0.488320 H\n0.934362 0.120151 0.488320 H\n0.434362 0.379849 0.511680 H\n0.975188 0.387727 0.182614 H\n0.475188 0.112273 0.817386 H\n0.024812 0.612273 0.817386 H\n0.524812 0.887727 0.182614 H\n0.086324 0.489859 0.188461 H\n0.586324 0.010141 0.811539 H\n0.913676 0.510141 0.811539 H\n0.413676 0.989859 0.188461 H\n0.811439 0.292948 0.798549 N\n0.311439 0.207052 0.201451 N\n0.188561 0.707052 0.201451 N\n0.688561 0.792949 0.798549 N\n0.712908 0.280475 0.284904 N\n0.212908 0.219525 0.715096 N\n0.287092 0.719525 0.715096 N\n0.787092 0.780475 0.284904 N\n0.009422 0.126865 0.305850 N\n0.509422 0.373135 0.694150 N\n0.990578 0.873135 0.694150 N\n0.490578 0.626865 0.305850 N\n0.642376 0.505052 0.906948 O\n0.142376 0.994948 0.093052 O\n0.357624 0.494948 0.093052 O\n0.857624 0.005052 0.906948 O\n0.415138 0.637666 0.932373 O\n0.915138 0.862334 0.067627 O\n0.584862 0.362334 0.067627 O\n0.084862 0.137666 0.932373 O\n0.395283 0.394410 0.928709 O\n0.895283 0.105590 0.071291 O\n0.604717 0.605590 0.071291 O\n0.104717 0.894410 0.928709 O\n0.637931 0.000849 0.403112 O\n0.137931 0.499151 0.596888 O\n0.362069 0.999151 0.596888 O\n0.862069 0.500849 0.403112 O\n0.408655 0.131437 0.430427 O\n0.908655 0.368563 0.569573 O\n0.591345 0.868563 0.569573 O\n0.091345 0.631437 0.430427 O\n0.389641 0.892737 0.432167 O\n0.889641 0.607263 0.567833 O\n0.610359 0.107263 0.567833 O\n0.110359 0.392737 0.432167 O\n0.122242 0.369542 0.966140 O\n0.622242 0.130458 0.033860 O\n0.877758 0.630458 0.033860 O\n0.377758 0.869542 0.966140 O\n0.114767 0.868626 0.451021 O\n0.614767 0.631374 0.548979 O\n0.885233 0.131374 0.548979 O\n0.385233 0.368626 0.451021 O\n0.026896 0.451533 0.142660 O\n0.526896 0.048467 0.857340 O\n0.973104 0.548467 0.857340 O\n0.473104 0.951533 0.142660 O\n0.665183 0.694047 0.762521 O\n0.165183 0.805953 0.237479 O\n0.334817 0.305953 0.237479 O\n0.834817 0.194047 0.762521 O\n0.785287 0.294690 0.887037 O\n0.285287 0.205310 0.112963 O\n0.214713 0.705310 0.112963 O\n0.714713 0.794690 0.887037 O\n0.313786 0.104892 0.255357 O\n0.813786 0.395108 0.744643 O\n0.686214 0.895108 0.744643 O\n0.186214 0.604892 0.255357 O\n0.840872 0.684498 0.257463 O\n0.340872 0.815502 0.742537 O\n0.159128 0.315502 0.742537 O\n0.659128 0.184498 0.257463 O\n0.738817 0.286896 0.373541 O\n0.238817 0.213104 0.626459 O\n0.261183 0.713104 0.626459 O\n0.761183 0.786896 0.373541 O\n0.257664 0.629326 0.775959 O\n0.757664 0.870674 0.224041 O\n0.742336 0.370674 0.224041 O\n0.242336 0.129326 0.775959 O\n0.453250 0.665958 0.385222 O\n0.953250 0.834042 0.614778 O\n0.546750 0.334042 0.614778 O\n0.046750 0.165958 0.385222 O\n0.987078 0.014221 0.302332 O\n0.487078 0.485779 0.697668 O\n0.012922 0.985779 0.697668 O\n0.512922 0.514221 0.302332 O\n0.995607 0.201152 0.231034 O\n0.495607 0.298848 0.768966 O\n0.004393 0.798848 0.768966 O\n0.504393 0.701152 0.231034 O\n",
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"elements": [
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"H",
"N",
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"formula_full": "Al4 H72 N12 O72",
"formula_reduced": "AlH18(NO6)3",
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"updated_at": "2021-11-28T01:34:52.940000Z",
"spacegroup": 14
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{
"id": "mp-851105",
"created_at": "2022-09-04T14:44:08.596436Z",
"structure_string": "Li16 Cu16 S24 O96\n1.0\n8.646496 0.000000 0.000000\n0.000000 8.680903 0.000000\n0.000000 0.000000 24.131490\nLi Cu S O\n16 16 24 96\ndirect\n0.037562 0.623532 0.290931 Li\n0.037562 0.876468 0.790931 Li\n0.146502 0.931142 0.008169 Li\n0.146502 0.568858 0.508169 Li\n0.353498 0.068858 0.508169 Li\n0.353498 0.431142 0.008169 Li\n0.462438 0.123532 0.290931 Li\n0.462438 0.376468 0.790931 Li\n0.537562 0.623532 0.209069 Li\n0.537562 0.876468 0.709069 Li\n0.646502 0.568858 0.991831 Li\n0.646502 0.931142 0.491831 Li\n0.853498 0.431142 0.491831 Li\n0.853498 0.068858 0.991831 Li\n0.962438 0.123532 0.209069 Li\n0.962438 0.376468 0.709069 Li\n0.006265 0.401604 0.065674 Cu\n0.006265 0.098396 0.565674 Cu\n0.997630 0.797169 0.179404 Cu\n0.997630 0.702831 0.679404 Cu\n0.502370 0.297169 0.179404 Cu\n0.502370 0.202831 0.679404 Cu\n0.493735 0.598396 0.565674 Cu\n0.493735 0.901604 0.065674 Cu\n0.506265 0.401604 0.434326 Cu\n0.506265 0.098396 0.934326 Cu\n0.497630 0.702831 0.820596 Cu\n0.497630 0.797169 0.320596 Cu\n0.002370 0.297169 0.320596 Cu\n0.002370 0.202831 0.820596 Cu\n0.993735 0.901604 0.434326 Cu\n0.993735 0.598396 0.934326 Cu\n0.142455 0.947928 0.297911 S\n0.142455 0.552072 0.797911 S\n0.147739 0.252881 0.444540 S\n0.147739 0.247119 0.944540 S\n0.195797 0.094149 0.115746 S\n0.195797 0.405851 0.615746 S\n0.304203 0.594149 0.115746 S\n0.304203 0.905851 0.615746 S\n0.352261 0.752881 0.444540 S\n0.352261 0.747119 0.944540 S\n0.357545 0.447928 0.297911 S\n0.357545 0.052072 0.797911 S\n0.642455 0.552072 0.702089 S\n0.642455 0.947928 0.202089 S\n0.647739 0.252881 0.055460 S\n0.647739 0.247119 0.555460 S\n0.695797 0.094149 0.384254 S\n0.695797 0.405851 0.884254 S\n0.804203 0.594149 0.384254 S\n0.804203 0.905851 0.884254 S\n0.852261 0.752881 0.055460 S\n0.852261 0.747119 0.555460 S\n0.857545 0.447928 0.202089 S\n0.857545 0.052072 0.702089 S\n0.061960 0.388826 0.464012 O\n0.061960 0.111174 0.964012 O\n0.079975 0.098378 0.277753 O\n0.079975 0.401622 0.777753 O\n0.084791 0.105859 0.471052 O\n0.084791 0.394141 0.971052 O\n0.085584 0.907980 0.353268 O\n0.085584 0.592020 0.853268 O\n0.093094 0.189328 0.080253 O\n0.093094 0.310672 0.580253 O\n0.090744 0.822850 0.258978 O\n0.090744 0.677150 0.758978 O\n0.096593 0.008556 0.156430 O\n0.096593 0.491444 0.656430 O\n0.139594 0.235817 0.383711 O\n0.139594 0.264183 0.883711 O\n0.185568 0.457945 0.295827 O\n0.185568 0.042055 0.795827 O\n0.190280 0.683832 0.146701 O\n0.190280 0.816168 0.646701 O\n0.187295 0.763683 0.463022 O\n0.187295 0.736317 0.963022 O\n0.227864 0.017439 0.576234 O\n0.227864 0.482561 0.076234 O\n0.272136 0.982561 0.076234 O\n0.272136 0.517439 0.576234 O\n0.312705 0.236317 0.963022 O\n0.312705 0.263683 0.463022 O\n0.309720 0.183832 0.146701 O\n0.309720 0.316168 0.646701 O\n0.314432 0.957945 0.295827 O\n0.314432 0.542055 0.795827 O\n0.360406 0.735817 0.383711 O\n0.360406 0.764183 0.883711 O\n0.403407 0.991444 0.656430 O\n0.403407 0.508556 0.156430 O\n0.409256 0.322850 0.258978 O\n0.409256 0.177150 0.758978 O\n0.406906 0.689328 0.080253 O\n0.406906 0.810672 0.580253 O\n0.414416 0.092020 0.853268 O\n0.414416 0.407980 0.353268 O\n0.415209 0.894141 0.971052 O\n0.415209 0.605859 0.471052 O\n0.420025 0.598378 0.277753 O\n0.420025 0.901622 0.777753 O\n0.438040 0.611174 0.964012 O\n0.438040 0.888826 0.464012 O\n0.561960 0.388826 0.035988 O\n0.561960 0.111174 0.535988 O\n0.579975 0.098378 0.222247 O\n0.579975 0.401622 0.722247 O\n0.584791 0.105859 0.028948 O\n0.584791 0.394141 0.528948 O\n0.585584 0.592020 0.646732 O\n0.585584 0.907980 0.146732 O\n0.593094 0.189328 0.419747 O\n0.593094 0.310672 0.919747 O\n0.590744 0.822850 0.241022 O\n0.590744 0.677150 0.741022 O\n0.596593 0.008556 0.343570 O\n0.596593 0.491444 0.843570 O\n0.639594 0.235817 0.116289 O\n0.639594 0.264183 0.616289 O\n0.685568 0.457945 0.204173 O\n0.685568 0.042055 0.704173 O\n0.690280 0.683832 0.353299 O\n0.690280 0.816168 0.853299 O\n0.687295 0.763683 0.036978 O\n0.687295 0.736317 0.536978 O\n0.727864 0.482561 0.423766 O\n0.727864 0.017439 0.923766 O\n0.772136 0.982561 0.423766 O\n0.772136 0.517439 0.923766 O\n0.812705 0.263683 0.036978 O\n0.812705 0.236317 0.536978 O\n0.809720 0.183832 0.353299 O\n0.809720 0.316168 0.853299 O\n0.814432 0.542055 0.704173 O\n0.814432 0.957945 0.204173 O\n0.860406 0.735817 0.116289 O\n0.860406 0.764183 0.616289 O\n0.903407 0.508556 0.343570 O\n0.903407 0.991444 0.843570 O\n0.909256 0.322850 0.241022 O\n0.909256 0.177150 0.741022 O\n0.906906 0.689328 0.419747 O\n0.906906 0.810672 0.919747 O\n0.914416 0.407980 0.146732 O\n0.914416 0.092020 0.646732 O\n0.915209 0.605859 0.028948 O\n0.915209 0.894141 0.528948 O\n0.920025 0.598378 0.222247 O\n0.920025 0.901622 0.722247 O\n0.938040 0.611174 0.535988 O\n0.938040 0.888826 0.035988 O\n",
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"formula_full": "Li16 Cu16 S24 O96",
"formula_reduced": "Li2Cu2(SO4)3",
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"energy": -938.76399358,
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"updated_at": "2021-11-28T01:36:31.232000Z",
"spacegroup": 61
},
{
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{
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{
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"structure_string": "Te8 Ru16 C44 O44\n1.0\n6.990378 0.000000 0.000000\n0.000000 16.510067 0.000000\n0.000000 0.000000 18.164508\nTe Ru C O\n8 16 44 44\ndirect\n0.995087 0.292108 0.735488 Te\n0.504913 0.292108 0.235488 Te\n0.004913 0.707892 0.264512 Te\n0.504913 0.207892 0.735488 Te\n0.495087 0.792108 0.264512 Te\n0.495087 0.707892 0.764512 Te\n0.004913 0.792108 0.764512 Te\n0.995087 0.207892 0.235488 Te\n0.173372 0.669532 0.849436 Ru\n0.671063 0.334823 0.811096 Ru\n0.173372 0.830468 0.349436 Ru\n0.328937 0.834823 0.688904 Ru\n0.826628 0.330468 0.150564 Ru\n0.328937 0.665177 0.188904 Ru\n0.828937 0.334823 0.311096 Ru\n0.826628 0.169532 0.650564 Ru\n0.673372 0.330468 0.650564 Ru\n0.171063 0.834823 0.188904 Ru\n0.326628 0.830468 0.849436 Ru\n0.828937 0.165177 0.811096 Ru\n0.171063 0.665177 0.688904 Ru\n0.673372 0.169532 0.150564 Ru\n0.671063 0.165177 0.311096 Ru\n0.326628 0.669532 0.349436 Ru\n0.560211 0.860704 0.893411 C\n0.088410 0.929658 0.241127 C\n0.439789 0.139296 0.106589 C\n0.411590 0.570342 0.241127 C\n0.205521 0.919078 0.895154 C\n0.705521 0.080922 0.604846 C\n0.173337 0.887091 0.617691 C\n0.467895 0.169079 0.380144 C\n0.826663 0.387091 0.882309 C\n0.750000 0.250000 0.067931 C\n0.911590 0.070342 0.758873 C\n0.060211 0.139296 0.606589 C\n0.939789 0.639296 0.893411 C\n0.588410 0.429658 0.758873 C\n0.205521 0.580922 0.395154 C\n0.326663 0.612909 0.617691 C\n0.673337 0.387091 0.382309 C\n0.032105 0.169079 0.880144 C\n0.088410 0.570342 0.741127 C\n0.294479 0.919078 0.395154 C\n0.560211 0.639296 0.393411 C\n0.532105 0.830921 0.619856 C\n0.826663 0.112909 0.382309 C\n0.939789 0.860704 0.393411 C\n0.032105 0.330921 0.380144 C\n0.173337 0.612909 0.117691 C\n0.467895 0.330921 0.880144 C\n0.588410 0.070342 0.258873 C\n0.750000 0.250000 0.567931 C\n0.294479 0.580922 0.895154 C\n0.794479 0.419078 0.604846 C\n0.673337 0.112909 0.882309 C\n0.411590 0.929658 0.741127 C\n0.326663 0.887091 0.117691 C\n0.911590 0.429658 0.258873 C\n0.967895 0.669079 0.619856 C\n0.250000 0.750000 0.432069 C\n0.250000 0.750000 0.932069 C\n0.705521 0.419078 0.104846 C\n0.794479 0.080922 0.104846 C\n0.967895 0.830921 0.119856 C\n0.439789 0.360704 0.606589 C\n0.060211 0.360704 0.106589 C\n0.532105 0.669079 0.119856 C\n0.131617 0.973831 0.923540 O\n0.250000 0.750000 0.497282 O\n0.421758 0.919382 0.074410 O\n0.750000 0.250000 0.002718 O\n0.295468 0.378972 0.579415 O\n0.652233 0.828512 0.575935 O\n0.204532 0.378972 0.079415 O\n0.473457 0.505322 0.251168 O\n0.526543 0.005322 0.248832 O\n0.152233 0.328512 0.424065 O\n0.250000 0.750000 0.997282 O\n0.578242 0.419382 0.425590 O\n0.868383 0.473831 0.576460 O\n0.078242 0.580618 0.074410 O\n0.795468 0.878972 0.420585 O\n0.921758 0.419382 0.925590 O\n0.750000 0.250000 0.502718 O\n0.704532 0.878972 0.920585 O\n0.578242 0.080618 0.925590 O\n0.368383 0.526169 0.923540 O\n0.973457 0.005322 0.748832 O\n0.131617 0.526169 0.423540 O\n0.526543 0.494678 0.748832 O\n0.347767 0.328512 0.924065 O\n0.631617 0.026169 0.576460 O\n0.295468 0.121028 0.079415 O\n0.847767 0.671488 0.575935 O\n0.631617 0.473831 0.076460 O\n0.868383 0.026169 0.076460 O\n0.368383 0.973831 0.423540 O\n0.847767 0.828512 0.075935 O\n0.421758 0.580618 0.574410 O\n0.704532 0.621028 0.420585 O\n0.795468 0.621028 0.920585 O\n0.973457 0.494678 0.248832 O\n0.473457 0.994678 0.751168 O\n0.078242 0.919382 0.574410 O\n0.347767 0.171488 0.424065 O\n0.026543 0.505322 0.751168 O\n0.026543 0.994678 0.251168 O\n0.152233 0.171488 0.924065 O\n0.921758 0.080618 0.425590 O\n0.204532 0.121028 0.579415 O\n0.652233 0.671488 0.075935 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"Te",
"Ru",
"C",
"O"
],
"chemical_system": "C-O-Ru-Te",
"density": 3.065687043464316,
"density_atomic": 0.05342504384656409,
"volume": 2096.395097431502,
"volume_molar": 11.272130683309305,
"formula_full": "Te8 Ru16 C44 O44",
"formula_reduced": "Te2Ru4(CO)11",
"formula_anonymous": "A2B4C11D11",
"energy": -903.84223508,
"energy_per_atom": -8.070019956071429,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -870.23823508,
"band_gap": 1.6783,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0394667,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.069000Z",
"spacegroup": 56
},
{
"id": "mp-720328",
"created_at": "2022-09-04T14:39:06.205273Z",
"structure_string": "K1 Mg8 Al17 Si19 O72\n1.0\n9.980098 0.000000 0.000000\n-4.978517 8.680804 0.000000\n-0.019034 -0.015042 18.857079\nK Mg Al Si O\n1 8 17 19 72\ndirect\n0.007181 0.024041 0.919715 K\n0.333315 0.666514 0.126141 Mg\n0.333206 0.666206 0.625618 Mg\n0.338080 0.661449 0.376190 Mg\n0.329502 0.659614 0.872664 Mg\n0.657834 0.321831 0.127554 Mg\n0.658210 0.320555 0.625780 Mg\n0.659002 0.325165 0.373409 Mg\n0.665433 0.331854 0.872384 Mg\n0.000810 0.500988 0.874937 Al\n0.106657 0.375157 0.999055 Al\n0.103671 0.372380 0.499474 Al\n0.729580 0.633882 0.251783 Al\n0.732392 0.633781 0.750812 Al\n0.898753 0.269132 0.250190 Al\n0.894451 0.269871 0.748772 Al\n0.500186 0.488712 0.376016 Al\n0.500490 0.490244 0.874756 Al\n0.731777 0.096900 0.000997 Al\n0.731740 0.094861 0.500836 Al\n0.373105 0.261187 0.000020 Al\n0.370749 0.261440 0.500096 Al\n0.496177 0.001090 0.125494 Al\n0.496446 0.000361 0.625315 Al\n0.362460 0.101296 0.250276 Al\n0.364172 0.102944 0.749494 Al\n0.622770 0.899293 0.250258 Si\n0.623581 0.898260 0.749771 Si\n0.630311 0.723609 0.000464 Si\n0.630356 0.723512 0.500302 Si\n0.269276 0.891531 0.999475 Si\n0.272004 0.894580 0.500177 Si\n0.502697 0.493286 0.624502 Si\n0.096020 0.731640 0.250063 Si\n0.100535 0.732564 0.749550 Si\n0.272391 0.377404 0.250301 Si\n0.270080 0.376642 0.749925 Si\n0.903362 0.632480 0.000075 Si\n0.907586 0.638498 0.499002 Si\n0.001397 0.504442 0.126812 Si\n0.001863 0.505758 0.624170 Si\n0.001703 0.504234 0.375581 Si\n0.503165 0.495013 0.124954 Si\n0.495389 0.998174 0.374795 Si\n0.495706 0.998749 0.874756 Si\n0.693376 0.904315 0.003132 O\n0.686443 0.901271 0.504892 O\n0.680306 0.777100 0.254554 O\n0.681985 0.776532 0.755798 O\n0.505090 0.859402 0.180871 O\n0.504645 0.857989 0.680999 O\n0.511695 0.869866 0.324078 O\n0.513953 0.871738 0.824204 O\n0.345402 0.854372 0.069215 O\n0.347243 0.853157 0.568765 O\n0.349209 0.866390 0.424905 O\n0.349211 0.867478 0.925250 O\n0.522868 0.640574 0.073947 O\n0.523897 0.639414 0.573754 O\n0.517528 0.644210 0.430779 O\n0.519710 0.644053 0.931313 O\n0.227153 0.906955 0.249367 O\n0.223115 0.911766 0.746290 O\n0.081015 0.775921 0.995330 O\n0.085340 0.775021 0.496103 O\n0.358874 0.482764 0.175062 O\n0.357156 0.480307 0.674428 O\n0.355333 0.493648 0.818183 O\n0.355891 0.493948 0.318870 O\n0.121262 0.647208 0.322078 O\n0.135919 0.651832 0.817795 O\n0.126599 0.646601 0.179122 O\n0.125400 0.649510 0.675791 O\n0.924095 0.698004 0.246537 O\n0.927536 0.699913 0.749263 O\n0.129154 0.489640 0.078821 O\n0.135273 0.500723 0.424027 O\n0.132038 0.495582 0.575849 O\n0.146890 0.507863 0.929274 O\n0.227255 0.301413 0.997828 O\n0.244133 0.326934 0.498643 O\n0.780434 0.695134 0.002348 O\n0.774633 0.685954 0.498968 O\n0.886212 0.540129 0.075908 O\n0.882038 0.532685 0.427091 O\n0.885054 0.538054 0.572075 O\n0.868290 0.522601 0.931919 O\n0.093074 0.327212 0.245807 O\n0.089918 0.323526 0.746941 O\n0.870264 0.363225 0.174220 O\n0.873730 0.360191 0.327973 O\n0.859178 0.352077 0.823555 O\n0.871520 0.362842 0.670614 O\n0.650200 0.523688 0.172597 O\n0.651338 0.524286 0.671853 O\n0.651128 0.506067 0.322355 O\n0.651682 0.508786 0.821960 O\n0.922788 0.223189 0.991045 O\n0.916518 0.237410 0.494416 O\n0.756758 0.077333 0.249162 O\n0.761363 0.073912 0.747332 O\n0.484849 0.351161 0.077861 O\n0.485105 0.349437 0.577990 O\n0.497950 0.344480 0.428815 O\n0.495803 0.344642 0.928061 O\n0.644057 0.135879 0.072049 O\n0.641195 0.133742 0.570840 O\n0.640815 0.115029 0.422165 O\n0.639765 0.114228 0.923330 O\n0.485288 0.137929 0.178574 O\n0.488096 0.138802 0.678659 O\n0.472935 0.120746 0.327544 O\n0.470536 0.119935 0.828136 O\n0.305580 0.237868 0.253719 O\n0.303085 0.236541 0.755248 O\n0.296524 0.061721 0.000718 O\n0.304735 0.065023 0.502827 O\n",
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"elements": [
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"O"
],
"chemical_system": "Al-K-Mg-O-Si",
"density": 2.4168867151826707,
"density_atomic": 0.07161709236026988,
"volume": 1633.6882180503972,
"volume_molar": 8.408803766712019,
"formula_full": "K1 Mg8 Al17 Si19 O72",
"formula_reduced": "KMg8Al17Si19O72",
"formula_anonymous": "AB8C17D19E72",
"energy": -919.58194993,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:34:44.972000Z",
"spacegroup": 1
}
]
}