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{
"id": "oqmd-1339180",
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"updated_at": "2022-09-04T15:45:53.804075Z",
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"elements": [
"Be",
"Os"
],
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"density": 8.10856182148492,
"density_atomic": 0.10946536614824973,
"volume": 1023.154664721238,
"volume_molar": 5.5014119733945535,
"formula_full": "Be90 Os22",
"formula_reduced": "Be45Os11",
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"spacegroup": 216
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{
"id": "oqmd-1101064",
"created_at": "2022-09-04T15:34:27.948236Z",
"updated_at": "2022-09-04T15:34:27.948260Z",
"structure_string": "Tb16 Si16 H16 O64\n1.0\n7.691488 0.000000 0.000000\n0.000000 8.961951 0.000000\n0.000000 0.000000 17.320264\nH O Si Tb\n16 64 16 16\ndirect\n0.938790 0.135678 0.008248 H\n0.561210 0.635677 0.008248 H\n0.793868 0.408218 0.218245 H\n0.706131 0.908219 0.218245 H\n0.293869 0.408218 0.281755 H\n0.206132 0.908219 0.281755 H\n0.438790 0.135678 0.491752 H\n0.061209 0.635677 0.491752 H\n0.938790 0.364322 0.508248 H\n0.561210 0.864322 0.508248 H\n0.793868 0.091781 0.718245 H\n0.706131 0.591782 0.718245 H\n0.293869 0.091781 0.781755 H\n0.206132 0.591782 0.781755 H\n0.438790 0.364322 0.991752 H\n0.061209 0.864322 0.991752 H\n0.775341 0.107954 0.002181 O\n0.724658 0.607955 0.002181 O\n0.076933 0.170880 0.013811 O\n0.423066 0.670880 0.013811 O\n0.838256 0.380882 0.077854 O\n0.661743 0.880883 0.077854 O\n0.371845 0.090483 0.082681 O\n0.128155 0.590483 0.082681 O\n0.403952 0.375183 0.147629 O\n0.096049 0.875183 0.147629 O\n0.921276 0.138109 0.166762 O\n0.578725 0.638109 0.166762 O\n0.563396 0.007353 0.209216 O\n0.936604 0.507354 0.209216 O\n0.673773 0.355382 0.227036 O\n0.826226 0.855383 0.227036 O\n0.173774 0.355382 0.272964 O\n0.326226 0.855383 0.272964 O\n0.063396 0.007353 0.290785 O\n0.436605 0.507354 0.290785 O\n0.421276 0.138109 0.333237 O\n0.078725 0.638109 0.333237 O\n0.903951 0.375183 0.352372 O\n0.596048 0.875183 0.352372 O\n0.871844 0.090483 0.417319 O\n0.628155 0.590483 0.417319 O\n0.338257 0.380882 0.422147 O\n0.161742 0.880883 0.422147 O\n0.576933 0.170880 0.486189 O\n0.923067 0.670880 0.486189 O\n0.275341 0.107954 0.497820 O\n0.224659 0.607955 0.497820 O\n0.775341 0.392045 0.502181 O\n0.724658 0.892046 0.502181 O\n0.076933 0.329120 0.513811 O\n0.423066 0.829120 0.513811 O\n0.838256 0.119117 0.577854 O\n0.661743 0.619117 0.577854 O\n0.371845 0.409517 0.582681 O\n0.128155 0.909517 0.582681 O\n0.403952 0.124817 0.647629 O\n0.096049 0.624817 0.647629 O\n0.921276 0.361891 0.666762 O\n0.578725 0.861890 0.666762 O\n0.563396 0.492646 0.709216 O\n0.936604 0.992647 0.709216 O\n0.673773 0.144617 0.727036 O\n0.826226 0.644617 0.727036 O\n0.173774 0.144617 0.772963 O\n0.326226 0.644617 0.772963 O\n0.063396 0.492646 0.790784 O\n0.436605 0.992647 0.790784 O\n0.421276 0.361891 0.833238 O\n0.078725 0.861890 0.833238 O\n0.903951 0.124817 0.852372 O\n0.596048 0.624817 0.852372 O\n0.871844 0.409517 0.917319 O\n0.628155 0.909517 0.917319 O\n0.338257 0.119117 0.922146 O\n0.161742 0.619117 0.922146 O\n0.576933 0.329120 0.986189 O\n0.923067 0.829120 0.986189 O\n0.275341 0.392045 0.997819 O\n0.224659 0.892046 0.997819 O\n0.256443 0.071537 0.004792 Si\n0.243556 0.571537 0.004792 Si\n0.516502 0.481875 0.204152 Si\n0.983498 0.981874 0.204152 Si\n0.016501 0.481875 0.295848 Si\n0.483498 0.981874 0.295848 Si\n0.756443 0.071537 0.495208 Si\n0.743556 0.571537 0.495208 Si\n0.256443 0.428463 0.504792 Si\n0.243556 0.928463 0.504792 Si\n0.516502 0.018126 0.704152 Si\n0.983498 0.518125 0.704152 Si\n0.016501 0.018126 0.795848 Si\n0.483498 0.518125 0.795848 Si\n0.756443 0.428463 0.995208 Si\n0.743556 0.928463 0.995208 Si\n0.636442 0.188748 0.118507 Tb\n0.863557 0.688747 0.118507 Tb\n0.114684 0.334132 0.124596 Tb\n0.385316 0.834132 0.124596 Tb\n0.614685 0.334132 0.375404 Tb\n0.885316 0.834132 0.375404 Tb\n0.136443 0.188748 0.381492 Tb\n0.363558 0.688747 0.381492 Tb\n0.636442 0.311253 0.618507 Tb\n0.863557 0.811252 0.618507 Tb\n0.114684 0.165868 0.624596 Tb\n0.385316 0.665870 0.624596 Tb\n0.614685 0.165868 0.875403 Tb\n0.885316 0.665870 0.875403 Tb\n0.136443 0.311253 0.881493 Tb\n0.363558 0.811252 0.881493 Tb\n",
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"elements": [
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"Tb"
],
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"density": 5.608289542759923,
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"volume": 1193.8985898008675,
"volume_molar": 6.419486929416361,
"formula_full": "Tb16 Si16 H16 O64",
"formula_reduced": "TbSiHO4",
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},
{
"id": "oqmd-1101043",
"created_at": "2022-09-04T15:34:27.752665Z",
"updated_at": "2022-09-04T15:34:27.752694Z",
"structure_string": "Er16 Si16 H16 O64\n1.0\n7.620173 0.000000 0.000000\n0.000000 8.917540 0.000000\n0.000000 0.000000 17.243301\nEr H O Si\n16 16 64 16\ndirect\n0.639013 0.187183 0.119032 Er\n0.860988 0.687182 0.119032 Er\n0.107252 0.337311 0.124523 Er\n0.392748 0.837311 0.124523 Er\n0.607251 0.337311 0.375477 Er\n0.892747 0.837311 0.375477 Er\n0.139013 0.187183 0.380969 Er\n0.360987 0.687182 0.380969 Er\n0.639013 0.312818 0.619032 Er\n0.860988 0.812817 0.619032 Er\n0.107252 0.162688 0.624523 Er\n0.392748 0.662690 0.624523 Er\n0.607251 0.162688 0.875477 Er\n0.892747 0.662690 0.875477 Er\n0.139013 0.312818 0.880969 Er\n0.360987 0.812817 0.880969 Er\n0.938267 0.135017 0.011473 H\n0.561733 0.635018 0.011473 H\n0.789633 0.404826 0.217366 H\n0.710367 0.904827 0.217366 H\n0.289633 0.404826 0.282633 H\n0.210367 0.904827 0.282633 H\n0.438267 0.135017 0.488527 H\n0.061732 0.635018 0.488527 H\n0.938267 0.364982 0.511473 H\n0.561733 0.864983 0.511473 H\n0.789633 0.095173 0.717366 H\n0.710367 0.595173 0.717366 H\n0.289633 0.095173 0.782633 H\n0.210367 0.595173 0.782633 H\n0.438267 0.364982 0.988527 H\n0.061732 0.864983 0.988527 H\n0.775585 0.107221 0.004500 O\n0.724415 0.607222 0.004500 O\n0.078521 0.171350 0.018658 O\n0.421480 0.671349 0.018658 O\n0.832064 0.375835 0.079397 O\n0.667936 0.875836 0.079397 O\n0.385231 0.085827 0.079791 O\n0.114769 0.585829 0.079791 O\n0.394824 0.375622 0.147347 O\n0.105175 0.875623 0.147347 O\n0.922244 0.138246 0.167102 O\n0.577755 0.638246 0.167102 O\n0.565156 0.007156 0.208497 O\n0.934845 0.507154 0.208497 O\n0.668890 0.352070 0.225728 O\n0.831108 0.852071 0.225728 O\n0.168891 0.352070 0.274271 O\n0.331109 0.852071 0.274271 O\n0.065156 0.007156 0.291503 O\n0.434844 0.507154 0.291503 O\n0.422245 0.138246 0.332898 O\n0.077755 0.638246 0.332898 O\n0.894825 0.375622 0.352653 O\n0.605175 0.875623 0.352653 O\n0.885232 0.085827 0.420209 O\n0.614769 0.585829 0.420209 O\n0.332063 0.375835 0.420602 O\n0.167936 0.875836 0.420602 O\n0.578521 0.171350 0.481342 O\n0.921480 0.671349 0.481342 O\n0.275586 0.107221 0.495501 O\n0.224415 0.607222 0.495501 O\n0.775585 0.392778 0.504500 O\n0.724415 0.892779 0.504500 O\n0.078521 0.328651 0.518658 O\n0.421480 0.828650 0.518658 O\n0.832064 0.124165 0.579397 O\n0.667936 0.624164 0.579397 O\n0.385231 0.414171 0.579792 O\n0.114769 0.914173 0.579792 O\n0.394824 0.124377 0.647347 O\n0.105175 0.624377 0.647347 O\n0.922244 0.361756 0.667102 O\n0.577755 0.861755 0.667102 O\n0.565156 0.492846 0.708497 O\n0.934845 0.992844 0.708497 O\n0.668890 0.147929 0.725728 O\n0.831108 0.647929 0.725728 O\n0.168891 0.147929 0.774272 O\n0.331109 0.647929 0.774272 O\n0.065156 0.492846 0.791503 O\n0.434844 0.992844 0.791503 O\n0.422245 0.361756 0.832897 O\n0.077755 0.861755 0.832897 O\n0.894825 0.124377 0.852653 O\n0.605175 0.624377 0.852653 O\n0.885232 0.414171 0.920209 O\n0.614769 0.914173 0.920209 O\n0.332063 0.124165 0.920602 O\n0.167936 0.624164 0.920602 O\n0.578521 0.328651 0.981342 O\n0.921480 0.828650 0.981342 O\n0.275586 0.392778 0.995501 O\n0.224415 0.892779 0.995501 O\n0.258093 0.072477 0.004627 Si\n0.241907 0.572479 0.004627 Si\n0.511637 0.481162 0.203697 Si\n0.988363 0.981162 0.203697 Si\n0.011636 0.481162 0.296303 Si\n0.488363 0.981162 0.296303 Si\n0.758093 0.072477 0.495374 Si\n0.741907 0.572479 0.495374 Si\n0.258093 0.427522 0.504626 Si\n0.241907 0.927522 0.504626 Si\n0.511637 0.018839 0.703697 Si\n0.988363 0.518838 0.703697 Si\n0.011636 0.018839 0.796303 Si\n0.488363 0.518838 0.796303 Si\n0.758093 0.427522 0.995374 Si\n0.741907 0.927522 0.995374 Si\n",
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"volume": 1171.737438998462,
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"formula_full": "Er16 Si16 H16 O64",
"formula_reduced": "ErSiHO4",
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},
{
"id": "oqmd-1101046",
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}