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{
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"structure_string": "K2 Sr2 Nb4 O12 F2\n1.0\n3.907790 0.000043 -0.000255\n-0.000037 7.779363 -0.000072\n-1.953332 -3.889461 11.209787\nK Sr Nb O F\n2 2 4 12 2\ndirect\n0.237142 0.237113 0.474225 K\n0.762858 0.762886 0.525775 K\n-0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.607938 0.353797 0.215841 Nb\n0.607932 0.862045 0.215841 Nb\n0.392062 0.646203 0.784159 Nb\n0.392067 0.137955 0.784159 Nb\n0.594725 0.594705 0.189410 O\n0.084626 0.332240 0.169218 O\n0.915380 0.163027 0.830782 O\n0.312382 0.593744 0.624825 O\n0.405275 0.405295 0.810590 O\n0.422331 0.922350 0.844699 O\n0.915374 0.667760 0.830782 O\n0.084619 0.836972 0.169218 O\n0.687618 0.406256 0.375175 O\n0.577669 0.077650 0.155301 O\n0.312392 0.031080 0.624825 O\n0.687607 0.968919 0.375175 O\n0.500000 0.276842 0.000000 F\n0.499999 0.723157 -0.000000 F\n",
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"structure_string": "K2 Sn2 P2 C2 O14\n1.0\n0.000000 5.031248 -0.450114\n6.529754 0.000000 0.000000\n0.000000 0.576698 -9.586142\nK Sn P C O\n2 2 2 2 14\ndirect\n0.914792 0.649640 0.147400 K\n0.085209 0.149641 0.852600 K\n0.268707 0.229500 0.342992 Sn\n0.731294 0.729500 0.657007 Sn\n0.306238 0.732123 0.431608 P\n0.693763 0.232123 0.568392 P\n0.464857 0.241024 0.083212 C\n0.535143 0.741023 0.916788 C\n0.389737 0.743136 0.811071 O\n0.744700 0.416320 0.660524 O\n0.746832 0.045446 0.657721 O\n0.127363 0.734646 0.576174 O\n0.398664 0.230228 0.538270 O\n0.601336 0.730228 0.461729 O\n0.610263 0.243137 0.188928 O\n0.253169 0.545445 0.342278 O\n0.255301 0.916319 0.339476 O\n0.798976 0.739424 0.870105 O\n0.201025 0.239424 0.129894 O\n0.438114 0.740660 0.043087 O\n0.872638 0.234647 0.423825 O\n0.561886 0.240660 -0.043088 O\n",
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"structure_string": "K2 Si2 P2 C2 O14\n1.0\n0.000000 4.877628 -0.405292\n5.963782 0.000000 0.000000\n0.000000 0.677289 -9.251108\nK Si P C O\n2 2 2 2 14\ndirect\n0.899059 0.702735 0.158422 K\n0.100941 0.202736 0.841578 K\n0.273745 0.228963 0.343150 Si\n0.726256 0.728963 0.656850 Si\n0.295107 0.729769 0.440719 P\n0.704893 0.229769 0.559281 P\n0.464488 0.230445 0.103134 C\n0.535513 0.730445 0.896866 C\n0.400892 0.730320 0.782401 O\n0.729609 0.430643 0.659635 O\n0.728900 0.028231 0.659279 O\n0.070026 0.730091 0.574356 O\n0.417609 0.229253 0.508436 O\n0.582392 0.729253 0.491564 O\n0.599108 0.230320 0.217599 O\n0.271100 0.528231 0.340721 O\n0.270391 0.930643 0.340365 O\n0.806505 0.730459 0.844346 O\n0.193496 0.230459 0.155654 O\n0.431263 0.731238 0.026701 O\n0.929975 0.230091 0.425644 O\n0.568737 0.231238 -0.026701 O\n",
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"created_at": "2022-09-04T14:35:43.890199Z",
"updated_at": "2022-09-04T14:35:43.890219Z",
"structure_string": "K6 Sb2 N6 O18 F6\n1.0\n7.163234 0.000000 -0.000000\n-0.000000 8.805638 -1.694284\n0.000000 -0.029555 8.967105\nK Sb N O F\n6 2 6 18 6\ndirect\n0.777069 0.029561 0.383429 K\n0.277070 0.970439 0.616572 K\n0.277070 0.383429 0.029561 K\n-0.011187 0.398198 0.601802 K\n0.488813 0.601802 0.398199 K\n0.777069 0.616571 0.970440 K\n0.843082 0.129053 0.870947 Sb\n0.343082 0.870947 0.129054 Sb\n0.979203 0.694449 0.305552 N\n0.479204 0.305551 0.694449 N\n0.757460 0.316975 0.207919 N\n0.257460 0.683024 0.792082 N\n0.757460 0.792081 0.683025 N\n0.257460 0.207919 0.316976 N\n0.751545 0.650333 0.639973 O\n0.808160 0.719465 0.280535 O\n0.064068 0.779881 0.412924 O\n0.154402 0.625275 0.879183 O\n0.751545 0.360027 0.349667 O\n0.251545 0.639973 0.650334 O\n0.308160 0.280534 0.719466 O\n0.871913 0.848324 0.790736 O\n0.564068 0.412923 0.779882 O\n0.871913 0.209265 0.151676 O\n0.654402 0.374724 0.120818 O\n0.654402 0.879183 0.625276 O\n0.371914 0.151676 0.209265 O\n0.154402 0.120817 0.374724 O\n0.251545 0.349667 0.360028 O\n0.371914 0.790735 0.848324 O\n0.564068 0.220119 0.587077 O\n0.064068 0.587076 0.220119 O\n0.445787 0.658327 0.110170 F\n0.098647 0.074647 0.925353 F\n0.598646 0.925353 0.074648 F\n0.945787 0.341673 0.889831 F\n0.445787 0.889830 0.341674 F\n0.945787 0.110169 0.658327 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Sb",
"N",
"O",
"F"
],
"chemical_system": "F-K-N-O-Sb",
"density": 2.8322905561725737,
"density_atomic": 0.06722593919025222,
"volume": 565.2580009698104,
"volume_molar": 8.958061177780039,
"formula_full": "K6 Sb2 N6 O18 F6",
"formula_reduced": "K3SbN3(O3F)3",
"formula_anonymous": "AB3C3D3E9",
"energy_above_hull": 2.287588010394737,
"spacegroup": 36
}
]
}