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{
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"structure_string": "Ho4 Co2 Pt2 O12\n1.0\n5.800776 0.000000 0.000000\n-0.000000 4.311035 2.989179\n-0.000000 0.017765 9.198672\nHo Co Pt O\n4 2 2 12\ndirect\n0.082418 0.722817 0.749669 Ho\n0.917583 0.277183 0.250331 Ho\n0.582418 0.277183 0.750331 Ho\n0.417583 0.722817 0.249669 Ho\n0.500000 0.499999 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000001 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.690081 0.384044 0.438662 O\n0.309919 0.615956 0.561338 O\n0.689273 0.760603 0.059071 O\n0.310727 0.239397 0.940929 O\n0.189273 0.239397 0.440929 O\n0.550877 0.124784 0.246002 O\n0.050877 0.875216 0.253998 O\n0.949124 0.124784 0.746002 O\n0.809920 0.384044 0.938662 O\n0.449123 0.875216 0.753998 O\n0.810728 0.760603 0.559071 O\n0.190081 0.615956 0.061338 O\n",
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{
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{
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"structure_string": "Mn8 O8 F8\n1.0\n6.131348 -0.000000 0.000000\n0.000000 4.606554 0.013738\n-0.000000 -0.019858 9.153270\nMn O F\n8 8 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.751797 0.469362 0.766204 Mn\n0.251797 0.530636 0.733796 Mn\n0.748203 0.469362 0.266204 Mn\n0.248203 0.530637 0.233796 Mn\n0.753762 0.166043 0.407931 O\n0.746238 0.166043 0.907931 O\n-0.001395 0.321837 0.154411 O\n0.501395 0.321837 0.654411 O\n0.498605 0.678162 0.345589 O\n0.001395 0.678162 0.845589 O\n0.253762 0.833956 0.092069 O\n0.246238 0.833956 0.592069 O\n0.745182 0.788844 0.621893 F\n0.754819 0.788844 0.121893 F\n0.499191 0.690725 0.867799 F\n0.000809 0.690725 0.367799 F\n-0.000809 0.309274 0.632201 F\n0.500809 0.309274 0.132201 F\n0.245182 0.211154 0.878108 F\n0.254818 0.211154 0.378108 F\n",
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"created_at": "2022-09-04T14:38:27.981174Z",
"updated_at": "2022-09-04T14:38:27.981192Z",
"structure_string": "Sm4 Sn4 F28\n1.0\n0.000000 9.069708 0.016191\n5.624359 0.000000 0.000000\n0.000000 -5.697588 -10.866945\nSm Sn F\n4 4 28\ndirect\n0.812322 0.759422 0.735220 Sm\n0.187679 0.259422 0.764781 Sm\n0.187679 0.240578 0.264781 Sm\n0.812322 0.740578 0.235220 Sm\n0.728165 0.243706 0.457662 Sn\n0.271835 0.743706 0.042338 Sn\n0.271835 0.756294 0.542339 Sn\n0.728165 0.256294 0.957662 Sn\n0.023663 0.757902 0.447199 F\n0.742787 0.054393 0.324923 F\n0.257213 0.554393 0.175078 F\n0.257214 0.945607 0.675078 F\n0.742787 0.445607 0.824923 F\n0.276022 0.466583 0.637586 F\n0.723978 0.533417 0.362414 F\n0.723978 0.966584 0.862414 F\n0.976337 0.257902 0.052801 F\n0.963492 0.098493 0.769256 F\n0.036508 0.598493 0.730744 F\n0.276022 0.033417 0.137586 F\n0.976337 0.242098 0.552801 F\n0.480961 0.220010 0.363070 F\n0.519040 0.779990 0.636930 F\n0.480961 0.279990 0.863070 F\n0.036508 0.901508 0.230744 F\n0.519040 0.720011 0.136930 F\n0.709017 0.442140 0.585201 F\n0.290984 0.942140 0.914800 F\n0.290984 0.557861 0.414800 F\n0.709017 0.057860 0.085200 F\n0.725734 0.559933 0.042596 F\n0.274266 0.059933 0.457404 F\n0.274266 0.440067 0.957404 F\n0.725734 0.940067 0.542596 F\n0.023663 0.742098 0.947199 F\n0.963492 0.401507 0.269256 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"F"
],
"chemical_system": "F-Sm-Sn",
"density": 4.822048299209633,
"density_atomic": 0.06500329504386185,
"volume": 553.8180791559646,
"volume_molar": 9.264362300305669,
"formula_full": "Sm4 Sn4 F28",
"formula_reduced": "SmSnF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}