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{
"id": "jvasp-20329",
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"structure_string": "Cr23 C6\n1.0\n6.453608 0.000000 3.725992\n2.151203 6.084520 3.725992\n-0.000000 -0.000000 7.451985\nCr C\n23 6\ndirect\n0.660684 0.000000 0.339315 Cr\n0.750000 0.750000 0.749999 Cr\n0.380756 0.380756 0.380756 Cr\n0.619244 0.619244 0.142269 Cr\n0.142269 0.619244 0.619243 Cr\n0.339316 0.660684 -0.000000 Cr\n0.339316 0.000000 -0.000000 Cr\n-0.000000 0.660684 -0.000000 Cr\n0.339316 0.000000 0.660684 Cr\n-0.000000 0.660684 0.339315 Cr\n0.000000 0.000000 0.339316 Cr\n0.000000 0.000000 0.660684 Cr\n-0.000000 0.339316 -0.000000 Cr\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.660684 0.000000 -0.000000 Cr\n0.660684 0.339316 -0.000000 Cr\n0.619244 0.619244 0.619243 Cr\n0.380756 0.380756 0.857730 Cr\n0.380756 0.857731 0.380755 Cr\n0.857731 0.380756 0.380755 Cr\n0.619244 0.142269 0.619243 Cr\n-0.000000 0.339316 0.660684 Cr\n0.722536 0.277464 0.277463 C\n0.722536 0.722536 0.277463 C\n0.277464 0.277464 0.722536 C\n0.722536 0.277464 0.722535 C\n0.277464 0.722536 0.277463 C\n0.277464 0.722536 0.722536 C\n",
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{
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{
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"updated_at": "2022-09-04T14:36:10.566047Z",
"structure_string": "Hf6 Al16 Co7\n1.0\n-0.000000 5.995695 5.995695\n5.995695 -0.000000 5.995695\n5.995695 5.995695 0.000000\nHf Al Co\n6 16 7\ndirect\n0.689809 0.310190 0.689809 Hf\n0.689809 0.310190 0.310190 Hf\n0.310190 0.689809 0.689809 Hf\n0.310190 0.310190 0.689809 Hf\n0.689809 0.689809 0.310190 Hf\n0.310190 0.689809 0.310190 Hf\n0.007114 0.664295 0.664295 Al\n0.664295 0.007114 0.664295 Al\n0.664295 0.664295 0.664295 Al\n0.992886 0.335704 0.335704 Al\n0.118302 0.645092 0.118302 Al\n0.335704 0.335704 0.335704 Al\n0.118302 0.118302 0.118302 Al\n0.118302 0.118302 0.645092 Al\n0.645092 0.118302 0.118302 Al\n0.881697 0.881697 0.881697 Al\n0.335704 0.335704 0.992886 Al\n0.664295 0.664295 0.007114 Al\n0.881697 0.354907 0.881697 Al\n0.881697 0.881697 0.354907 Al\n0.354907 0.881697 0.881697 Al\n0.335704 0.992886 0.335704 Al\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
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"updated_at": "2022-09-04T14:38:50.195868Z",
"structure_string": "Hf6 Ga16 Pd7\n1.0\n7.632112 0.000000 4.406402\n2.544037 7.195625 4.406402\n-0.000000 0.000000 8.812804\nHf Ga Pd\n6 16 7\ndirect\n0.683686 0.683685 0.316314 Hf\n0.316315 0.683685 0.316314 Hf\n0.683686 0.316314 0.316314 Hf\n0.316314 0.316314 0.683685 Hf\n0.683686 0.316314 0.683685 Hf\n0.316315 0.683685 0.683685 Hf\n0.340897 0.340897 0.340897 Ga\n0.977308 0.340897 0.340897 Ga\n0.340898 0.977308 0.340897 Ga\n0.340897 0.340897 0.977308 Ga\n0.659103 0.659102 0.659102 Ga\n0.022692 0.659102 0.659102 Ga\n0.659103 0.022692 0.659102 Ga\n0.659103 0.659102 0.022691 Ga\n0.634935 0.121688 0.121688 Ga\n0.121689 0.634934 0.121688 Ga\n0.121688 0.121688 0.634934 Ga\n0.878312 0.878311 0.878311 Ga\n0.365066 0.878311 0.878311 Ga\n0.878311 0.365065 0.878311 Ga\n0.878312 0.878311 0.365065 Ga\n0.121688 0.121688 0.121688 Ga\n0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:36:09.390498Z",
"updated_at": "2022-09-04T14:36:09.390521Z",
"structure_string": "Sc6 Al16 Os7\n1.0\n-0.000000 6.207351 6.207351\n6.207351 0.000000 6.207351\n6.207351 6.207351 0.000000\nSc Al Os\n6 16 7\ndirect\n0.713935 0.286065 0.713935 Sc\n0.713935 0.286065 0.286065 Sc\n0.286065 0.713935 0.713935 Sc\n0.286065 0.286065 0.713935 Sc\n0.713935 0.713935 0.286065 Sc\n0.286065 0.713935 0.286065 Sc\n0.014751 0.661750 0.661750 Al\n0.661750 0.014751 0.661750 Al\n0.661750 0.661750 0.661750 Al\n0.985249 0.338250 0.338250 Al\n0.120760 0.637720 0.120760 Al\n0.338250 0.338250 0.338250 Al\n0.120760 0.120760 0.120760 Al\n0.120760 0.120760 0.637720 Al\n0.637720 0.120760 0.120760 Al\n0.879240 0.879240 0.879240 Al\n0.338250 0.338250 0.985249 Al\n0.661750 0.661750 0.014751 Al\n0.879240 0.362280 0.879240 Al\n0.879240 0.879240 0.362280 Al\n0.362280 0.879240 0.879240 Al\n0.338250 0.985249 0.338250 Al\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.500000 Os\n",
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{
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"created_at": "2022-09-04T14:38:26.945595Z",
"updated_at": "2022-09-04T14:38:26.945613Z",
"structure_string": "Zr6 Ga16 Pt7\n1.0\n7.684054 -0.000000 4.436391\n2.561351 7.244596 4.436391\n0.000000 -0.000000 8.872782\nZr Ga Pt\n6 16 7\ndirect\n0.701070 0.701071 0.298930 Zr\n0.298929 0.701071 0.298929 Zr\n0.701070 0.298930 0.298930 Zr\n0.298929 0.298930 0.701070 Zr\n0.701070 0.298930 0.701070 Zr\n0.298929 0.701071 0.701070 Zr\n0.347744 0.347745 0.347744 Ga\n0.956767 0.347745 0.347744 Ga\n0.347744 0.956768 0.347744 Ga\n0.347744 0.347745 0.956768 Ga\n0.652255 0.652256 0.652256 Ga\n0.043232 0.652256 0.652255 Ga\n0.652255 0.043232 0.652256 Ga\n0.652255 0.652256 0.043232 Ga\n0.631155 0.122949 0.122949 Ga\n0.122948 0.631156 0.122948 Ga\n0.122948 0.122949 0.631155 Ga\n0.877051 0.877052 0.877051 Ga\n0.368844 0.877052 0.877051 Ga\n0.877051 0.368845 0.877051 Ga\n0.877051 0.877052 0.368844 Ga\n0.122948 0.122949 0.122948 Ga\n-0.000000 0.500000 -0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
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"structure_string": "Li1 Mg17 Al11\n1.0\n8.567259 -0.045200 3.008016\n-4.176515 7.480421 3.008016\n0.035123 0.059476 9.098595\nLi Mg Al\n1 17 11\ndirect\n0.366107 0.366108 0.815088 Li\n0.315628 0.601654 -0.000201 Mg\n0.394457 0.709662 0.605719 Mg\n0.001901 0.317761 0.399685 Mg\n0.287215 0.686217 0.314758 Mg\n0.601428 -0.001524 0.684912 Mg\n-0.001525 0.601429 0.684913 Mg\n0.686217 0.287215 0.314758 Mg\n0.342862 0.004037 0.996905 Mg\n0.004036 0.342863 0.996905 Mg\n0.709661 0.394458 0.605719 Mg\n0.601654 0.315628 -0.000201 Mg\n0.397952 0.397952 0.284820 Mg\n0.656690 0.656691 0.347470 Mg\n0.003219 0.003220 0.997630 Mg\n0.681069 0.681070 0.713312 Mg\n0.996118 0.996119 0.655596 Mg\n0.317761 0.001901 0.399685 Mg\n0.817188 0.002350 0.368434 Al\n0.818161 0.183736 0.813476 Al\n0.635100 0.000440 0.187495 Al\n0.000439 0.635100 0.187495 Al\n0.812720 0.631413 0.003076 Al\n0.002349 0.817188 0.368435 Al\n0.365624 0.180603 0.631096 Al\n0.190208 0.190208 0.175400 Al\n0.180603 0.365625 0.631096 Al\n0.183735 0.818161 0.813476 Al\n0.631412 0.812721 0.003076 Al\n",
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{
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"structure_string": "Li10 Mn3 F16\n1.0\n5.979444 0.000091 0.000190\n-2.989421 1.726428 9.454963\n2.989643 -5.178348 -0.000085\nLi Mn F\n10 3 16\ndirect\n0.253989 0.746160 0.746092 Li\n0.746010 0.253839 0.253908 Li\n0.499997 -0.000002 0.499998 Li\n0.253914 0.253838 0.746008 Li\n0.500000 -0.000000 -0.000002 Li\n0.746080 0.746164 0.746093 Li\n0.746086 0.746161 0.253991 Li\n-0.000002 -0.000000 0.500000 Li\n0.253920 0.253836 0.253908 Li\n0.500000 0.500000 0.500000 Li\n0.192749 0.578223 0.192739 Mn\n-0.000000 0.000000 -0.000000 Mn\n0.807251 0.421776 0.807260 Mn\n0.627898 0.883687 0.627899 F\n0.879220 0.637631 0.879215 F\n0.840941 0.631818 0.395450 F\n0.604553 0.368172 0.604560 F\n0.372087 0.125699 0.876800 F\n0.604549 0.368180 0.159052 F\n0.372101 0.116312 0.372099 F\n0.123205 0.874295 0.627896 F\n0.627912 0.874301 0.123199 F\n0.395447 0.631827 0.395440 F\n0.159059 0.368181 0.604550 F\n0.120779 0.362368 0.120785 F\n0.876793 0.125705 0.372104 F\n0.123199 0.874296 0.123196 F\n0.395450 0.631820 0.840948 F\n0.876799 0.125703 0.876802 F\n",
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{
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"structure_string": "Yb3 P6 Pd20\n1.0\n7.488626 -0.000000 4.323560\n2.496209 7.060344 4.323560\n-0.000000 -0.000000 8.647120\nYb P Pd\n3 6 20\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750001 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Yb\n0.263461 0.263460 0.736539 P\n0.736540 0.263460 0.736539 P\n0.736540 0.736539 0.263460 P\n0.263461 0.736539 0.736539 P\n0.736540 0.263460 0.263460 P\n0.263461 0.736539 0.263461 P\n0.000000 0.345329 0.654671 Pd\n0.000000 0.000000 0.654671 Pd\n0.000000 0.000000 0.345329 Pd\n0.345330 0.000000 0.654670 Pd\n0.000000 0.654670 0.000000 Pd\n0.654671 0.000000 0.345329 Pd\n0.000000 0.345329 0.000000 Pd\n0.000000 0.654670 0.345329 Pd\n0.654671 0.000000 -0.000000 Pd\n0.615771 0.152686 0.615771 Pd\n0.152686 0.615771 0.615771 Pd\n0.847315 0.384229 0.384229 Pd\n0.654671 0.345329 -0.000000 Pd\n0.615772 0.615771 0.152686 Pd\n0.384230 0.847314 0.384229 Pd\n0.384229 0.384229 0.847314 Pd\n0.615772 0.615771 0.615771 Pd\n0.384229 0.384229 0.384229 Pd\n0.345330 0.000000 -0.000000 Pd\n0.345330 0.654670 -0.000000 Pd\n",
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{
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"updated_at": "2022-09-04T14:38:45.765060Z",
"structure_string": "Ga2 Ni21 B6\n1.0\n6.403972 -0.000000 3.697335\n2.134657 6.037723 3.697335\n0.000000 -0.000000 7.394670\nGa Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.749999 Ga\n0.250000 0.250000 0.250000 Ga\n0.662897 0.000000 -0.000000 Ni\n0.000000 0.662897 -0.000000 Ni\n0.000000 0.000000 0.662897 Ni\n0.337103 0.000000 -0.000000 Ni\n0.337103 0.000000 0.662897 Ni\n0.337103 0.662897 -0.000001 Ni\n0.000000 0.337103 0.662897 Ni\n0.000000 0.337103 -0.000000 Ni\n0.000000 0.662897 0.337103 Ni\n0.662897 0.000000 0.337103 Ni\n0.662897 0.337103 -0.000001 Ni\n0.382160 0.382160 0.382160 Ni\n0.853520 0.382160 0.382160 Ni\n0.382161 0.853519 0.382160 Ni\n0.382160 0.382160 0.853519 Ni\n0.617840 0.617839 0.617839 Ni\n0.146480 0.617839 0.617839 Ni\n0.617840 0.146480 0.617839 Ni\n0.617840 0.617839 0.146479 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.337103 Ni\n0.726143 0.273857 0.726142 B\n0.726143 0.726143 0.273856 B\n0.273857 0.726143 0.273856 B\n0.726143 0.273857 0.273857 B\n0.273857 0.273857 0.726143 B\n0.273857 0.726143 0.726142 B\n",
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},
{
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"created_at": "2022-09-04T14:38:34.202749Z",
"updated_at": "2022-09-04T14:38:34.202769Z",
"structure_string": "Nb6 Co16 Si7\n1.0\n6.867041 0.000000 3.964688\n2.289014 6.474309 3.964688\n0.000000 0.000000 7.929375\nNb Co Si\n6 16 7\ndirect\n0.203083 0.796917 0.796917 Nb\n0.203083 0.796917 0.203084 Nb\n0.796916 0.203084 0.796917 Nb\n0.203083 0.203084 0.796917 Nb\n0.796916 0.796917 0.203084 Nb\n0.796916 0.203084 0.203084 Nb\n0.166082 0.166082 0.166082 Co\n0.618815 0.618816 0.618816 Co\n0.381184 0.856446 0.381185 Co\n0.856446 0.381185 0.381185 Co\n0.618815 0.143554 0.618816 Co\n0.381184 0.381185 0.856447 Co\n0.618815 0.618816 0.143554 Co\n0.833918 0.833918 0.498247 Co\n0.143553 0.618816 0.618816 Co\n0.833918 0.498246 0.833919 Co\n0.501753 0.166082 0.166082 Co\n0.498246 0.833918 0.833919 Co\n0.166082 0.166082 0.501754 Co\n0.833918 0.833918 0.833920 Co\n0.381184 0.381185 0.381185 Co\n0.166081 0.501754 0.166082 Co\n-0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500001 Si\n0.500000 -0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500001 Si\n0.500000 -0.000000 0.500001 Si\n",
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"elements": [
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],
"chemical_system": "Co-Nb-Si",
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"density_atomic": 0.08226137739804813,
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"formula_full": "Nb6 Co16 Si7",
"formula_reduced": "Nb6Co16Si7",
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{
"id": "jvasp-117009",
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],
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"density_atomic": 0.0818962986889362,
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"formula_full": "Na6 Zr2 Si4 O17",
"formula_reduced": "Na6Zr2Si4O17",
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}