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{
"id": "mp-649747",
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"structure_string": "K44 Sb22 F110\n1.0\n6.605888 0.000000 0.000000\n0.000000 17.528174 0.000000\n0.000000 5.637431 28.540018\nK Sb F\n44 22 110\ndirect\n0.761112 0.648589 0.626011 K\n0.754840 0.587911 0.477340 K\n0.754463 0.744973 0.932853 K\n0.255916 0.499893 0.249820 K\n0.258328 0.451389 0.106588 K\n0.742962 0.225308 0.569103 K\n0.752799 0.738179 0.355578 K\n0.208746 0.951201 0.866367 K\n0.736865 0.676292 0.206808 K\n0.770641 0.952743 0.388222 K\n0.240725 0.590030 0.977727 K\n0.767261 0.842783 0.083054 K\n0.254296 0.533369 0.828155 K\n0.708746 0.048799 0.133633 K\n0.754296 0.466631 0.171845 K\n0.242962 0.774692 0.430897 K\n0.247262 0.813839 0.993160 K\n0.246277 0.712917 0.290591 K\n0.254463 0.255027 0.067147 K\n0.770394 0.010411 0.535195 K\n0.768374 0.313945 0.296880 K\n0.238354 0.137240 0.340937 K\n0.741051 0.100185 0.264615 K\n0.746277 0.287083 0.709409 K\n0.268374 0.686055 0.703120 K\n0.246950 0.073254 0.177646 K\n0.236865 0.323708 0.793192 K\n0.267261 0.157217 0.916946 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0.866810 Sb\n0.270009 0.735670 0.854387 Sb\n0.263269 0.288108 0.226278 Sb\n0.763269 0.711892 0.773722 Sb\n0.241467 0.657219 0.133190 Sb\n0.255359 0.560533 0.407023 Sb\n0.053770 0.650120 0.883868 F\n0.721542 0.879718 0.170878 F\n0.495864 0.551959 0.674676 F\n0.457538 0.656106 0.397530 F\n0.529765 0.877653 0.464460 F\n0.257928 0.579847 0.471942 F\n0.044919 0.926851 0.588519 F\n0.991630 0.514968 0.563688 F\n0.972474 0.984096 0.679386 F\n0.471818 0.299694 0.980202 F\n0.514817 0.235915 0.376032 F\n0.516116 0.417140 0.832891 F\n0.459647 0.289443 0.482032 F\n0.039744 0.201634 0.755059 F\n0.489871 0.850734 0.351704 F\n0.552915 0.526950 0.560526 F\n0.949892 0.526522 0.064478 F\n0.491630 0.485032 0.436312 F\n0.556053 0.615800 0.787658 F\n0.785655 0.328089 0.801243 F\n0.478688 0.742982 0.124917 F\n0.377747 0.112562 0.075061 F\n0.975990 0.172456 0.146289 F\n0.113444 0.127071 0.001253 F\n0.305262 0.847865 0.651886 F\n0.756673 0.510989 0.255940 F\n0.475780 0.200897 0.765854 F\n0.516565 0.075314 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F\n0.221542 0.120282 0.829122 F\n0.553770 0.349880 0.116132 F\n0.486116 0.033815 0.795555 F\n0.285655 0.671911 0.198757 F\n0.396832 0.962784 0.105488 F\n0.968738 0.791567 0.736199 F\n0.213186 0.937177 0.383381 F\n0.480269 0.918129 0.574718 F\n0.957538 0.343894 0.602470 F\n0.975780 0.799103 0.234146 F\n0.531889 0.251796 0.866255 F\n0.014324 0.036726 0.084654 F\n0.511123 0.600226 0.292267 F\n0.057067 0.016512 0.783195 F\n0.529933 0.714160 0.498741 F\n0.475990 0.827544 0.853711 F\n",
"nsites": 176,
"nelements": 3,
"elements": [
"K",
"Sb",
"F"
],
"chemical_system": "F-K-Sb",
"density": 3.2605886792786207,
"density_atomic": 0.05325869776276973,
"volume": 3304.62454759891,
"volume_molar": 11.307337604881793,
"formula_full": "K44 Sb22 F110",
"formula_reduced": "K2SbF5",
"formula_anonymous": "AB2C5",
"energy": -863.2759229300002,
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"updated_at": "2021-11-28T01:38:06.574000Z",
"spacegroup": 4
},
{
"id": "mp-1197792",
"created_at": "2022-09-04T14:47:25.354917Z",
"structure_string": "Ca8 Fe24 P24 H16 O104\n1.0\n0.000000 -11.796667 0.000000\n-12.731824 -0.000000 0.000000\n0.000000 0.000000 -12.846413\nCa Fe P H O\n8 24 24 16 104\ndirect\n0.001236 0.243683 0.875620 Ca\n0.498764 0.743683 0.124380 Ca\n0.501236 0.756317 0.624380 Ca\n0.998764 0.256317 0.375620 Ca\n0.998764 0.756317 0.124380 Ca\n0.501236 0.256317 0.875620 Ca\n0.498764 0.243683 0.375620 Ca\n0.001236 0.743683 0.624380 Ca\n0.237369 0.147856 0.708883 Fe\n0.262631 0.647856 0.291117 Fe\n0.737369 0.852144 0.791117 Fe\n0.762631 0.352144 0.208883 Fe\n0.762631 0.852144 0.291117 Fe\n0.737369 0.352144 0.708883 Fe\n0.262631 0.147856 0.208883 Fe\n0.237369 0.647856 0.791117 Fe\n0.965477 0.989769 0.714806 Fe\n0.534523 0.489769 0.285194 Fe\n0.465477 0.010231 0.785194 Fe\n0.034523 0.510231 0.214806 Fe\n0.034523 0.010231 0.285194 Fe\n0.465477 0.510231 0.714806 Fe\n0.534523 0.989769 0.214806 Fe\n0.965477 0.489769 0.785194 Fe\n0.771224 0.171480 0.040852 Fe\n0.728776 0.671480 0.959148 Fe\n0.271224 0.828520 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"elements": [
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"formula_full": "Ca8 Fe24 P24 H16 O104",
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{
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},
{
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],
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"formula_full": "P14 H108 Ir4 C36 Cl2 F12",
"formula_reduced": "P7H54Ir2C18ClF6",
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"updated_at": "2021-11-28T01:35:38.447000Z",
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},
{
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{
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}
]
}