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"structure_string": "Y4 Fe4 O14\n1.0\n6.056920 0.000172 3.497119\n2.019130 5.710500 3.497129\n0.000160 0.000124 6.993962\nY Fe O\n4 4 14\ndirect\n0.500001 -0.000000 0.500000 Y\n-0.000000 0.499999 0.500001 Y\n0.499999 0.500001 0.000000 Y\n0.500000 0.500000 0.500000 Y\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000001 -0.000001 0.500000 Fe\n-0.000000 0.000000 -0.000000 Fe\n0.672870 0.077125 0.077130 O\n0.077132 0.077123 0.672869 O\n0.672861 0.672864 0.077126 O\n0.922874 0.327134 0.327139 O\n0.327131 0.922883 0.327132 O\n0.327139 0.327135 0.922874 O\n0.327130 0.922875 0.922870 O\n0.922868 0.327133 0.922869 O\n0.077127 0.672864 0.672861 O\n0.672869 0.077117 0.672868 O\n0.375007 0.375006 0.375001 O\n0.624993 0.624994 0.624999 O\n0.922871 0.922874 0.327131 O\n0.077132 0.672866 0.077132 O\n",
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"structure_string": "Li4 Mn2 B4 O12\n1.0\n0.000000 5.336632 0.052350\n7.698597 0.000000 0.000000\n0.000000 -2.720435 -5.176057\nLi Mn B O\n4 2 4 12\ndirect\n0.610801 0.435078 0.808287 Li\n0.389198 0.935079 0.691714 Li\n0.610801 0.064922 0.308287 Li\n0.389198 0.564922 0.191714 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.125991 0.258988 0.873566 B\n0.874007 0.758988 0.626435 B\n0.125992 0.241012 0.373566 B\n0.874008 0.741012 0.126435 B\n0.880960 0.263942 0.399055 O\n0.119039 0.763942 0.100945 O\n0.228530 0.082205 0.348049 O\n0.275383 0.395627 0.415438 O\n0.724616 0.604374 0.584563 O\n0.275383 0.104374 0.915438 O\n0.880960 0.236058 0.899056 O\n0.119039 0.736059 0.600945 O\n0.228530 0.417795 0.848050 O\n0.771469 0.582206 0.151951 O\n0.771469 0.917795 0.651951 O\n0.724616 0.895627 0.084563 O\n",
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{
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"structure_string": "Rb2 Ho4 Cu6 S10\n1.0\n3.940326 0.000000 0.000000\n-1.970163 6.948603 -0.000000\n0.000000 0.000000 16.445387\nRb Ho Cu S\n2 4 6 10\ndirect\n0.564718 0.129435 0.250000 Rb\n0.435284 0.870565 0.750000 Rb\n0.307663 0.615323 0.093528 Ho\n0.307663 0.615323 0.406472 Ho\n0.692339 0.384677 0.593529 Ho\n0.692339 0.384677 0.906472 Ho\n0.917198 0.834394 0.538457 Cu\n0.844978 0.689952 0.250000 Cu\n0.155024 0.310047 0.750000 Cu\n0.082803 0.165606 0.461543 Cu\n0.082803 0.165606 0.038457 Cu\n0.917198 0.834394 0.961543 Cu\n0.062000 0.124001 0.884578 S\n0.938001 0.875999 0.384578 S\n0.938001 0.875999 0.115422 S\n0.741872 0.483741 0.750000 S\n0.258130 0.516258 0.250000 S\n0.331738 0.663474 0.930649 S\n0.668264 0.336526 0.069351 S\n0.668264 0.336526 0.430649 S\n0.062000 0.124001 0.615422 S\n0.331738 0.663474 0.569351 S\n",
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"structure_string": "Na2 As2 H8 O10\n1.0\n0.000000 5.445667 0.020948\n7.131565 0.000000 0.000000\n0.000000 -0.272920 -5.917134\nNa As H O\n2 2 8 10\ndirect\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.312990 0.250000 0.523611 As\n0.687011 0.750001 0.476388 As\n0.451923 0.750001 0.038172 H\n0.323099 0.750001 0.792246 H\n0.676902 0.250000 0.207753 H\n0.548078 0.250000 0.961827 H\n0.746304 0.438575 0.582783 H\n0.746304 0.061426 0.582783 H\n0.253696 0.561426 0.417216 H\n0.253696 0.938575 0.417216 H\n0.710974 0.250000 0.044134 O\n0.192864 0.433764 0.355494 O\n0.807136 0.933765 0.644505 O\n0.807136 0.566236 0.644505 O\n0.192864 0.066236 0.355494 O\n0.234613 0.250000 0.794194 O\n0.765388 0.750001 0.205805 O\n0.627167 0.250000 0.496663 O\n0.372833 0.750001 0.503337 O\n0.289026 0.750001 0.955865 O\n",
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"created_at": "2022-09-04T14:36:39.695678Z",
"updated_at": "2022-09-04T14:36:39.695717Z",
"structure_string": "Li4 Mn4 F14\n1.0\n3.134847 4.343781 0.165748\n-3.134847 4.343781 -0.165748\n-2.200929 0.000000 9.297025\nLi Mn F\n4 4 14\ndirect\n0.188514 0.752669 0.704346 Li\n0.247331 0.811485 0.204346 Li\n0.752669 0.188515 0.795654 Li\n0.811485 0.247331 0.295654 Li\n0.301717 0.292051 0.038508 Mn\n0.292051 0.301717 0.461491 Mn\n0.707949 0.698283 0.538508 Mn\n0.698282 0.707949 0.961491 Mn\n0.598280 0.363319 0.128224 F\n0.953697 0.328551 0.929894 F\n0.162987 0.162988 0.250000 F\n0.490525 0.119940 0.884072 F\n0.636681 0.401720 0.628224 F\n0.363318 0.598281 0.371776 F\n0.401719 0.636681 0.871775 F\n0.837012 0.837012 0.750000 F\n0.046303 0.671449 0.070106 F\n0.880060 0.509475 0.384073 F\n0.119939 0.490525 0.615927 F\n0.328550 0.953697 0.570106 F\n0.509475 0.880060 0.115927 F\n0.671449 0.046303 0.429894 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.3260119961589525,
"density_atomic": 0.08581479501742818,
"volume": 256.3660496483387,
"volume_molar": 7.0176019866702,
"formula_full": "Li4 Mn4 F14",
"formula_reduced": "Li2Mn2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7295751327507838,
"spacegroup": 15
}
]
}