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{
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{
"id": "mp-1246917",
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"structure_string": "Ba6 Y6 N10\n1.0\n6.587303 -0.473647 -0.313037\n-1.303263 8.741512 -0.073028\n-2.477776 -3.484768 8.870748\nBa Y N\n6 6 10\ndirect\n0.757822 0.434298 0.593578 Ba\n0.242178 0.565702 0.406422 Ba\n0.673020 0.821431 0.880082 Ba\n0.326980 0.178569 0.119918 Ba\n0.693734 0.627877 0.215791 Ba\n0.306266 0.372123 0.784209 Ba\n0.887311 0.306051 0.969956 Y\n0.112689 0.693949 0.030044 Y\n0.715597 0.967706 0.585123 Y\n0.284403 0.032294 0.414877 Y\n0.130663 0.868178 0.710458 Y\n0.869337 0.131822 0.289542 Y\n0.005049 0.093071 0.822366 N\n0.994951 0.906929 0.177634 N\n0.775954 0.713201 0.527902 N\n0.224046 0.286799 0.472098 N\n0.766268 0.496734 0.885412 N\n0.233732 0.503266 0.114588 N\n0.374434 0.921238 0.596137 N\n0.625566 0.078762 0.403863 N\n0.246066 0.722696 0.848822 N\n0.753934 0.277304 0.151178 N\n",
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"formula_full": "Ba6 Y6 N10",
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{
"id": "mp-1215869",
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"structure_string": "Yb4 Cd2 Pd6\n1.0\n2.405874 -4.167096 0.000000\n2.405874 4.167096 0.000000\n0.000000 0.000000 11.682908\nYb Cd Pd\n4 2 6\ndirect\n0.000000 0.000000 0.500000 Yb\n0.333333 0.666667 0.178267 Yb\n0.666667 0.333333 0.821733 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.665552 Cd\n0.666667 0.333333 0.334448 Cd\n0.333333 0.666667 0.420894 Pd\n0.666667 0.333333 0.086329 Pd\n0.000000 0.000000 0.747631 Pd\n0.000000 0.000000 0.252369 Pd\n0.333333 0.666667 0.913671 Pd\n0.666667 0.333333 0.579106 Pd\n",
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"spacegroup": 164
},
{
"id": "mp-1225484",
"created_at": "2022-09-04T14:45:59.712649Z",
"structure_string": "Er1 V2 Fe10 N1\n1.0\n0.000000 0.000000 4.710147\n-4.277261 4.289039 2.355073\n-4.277261 -4.289039 -2.355073\nEr V Fe N\n1 2 10 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.357182 0.357182 V\n0.000000 0.642818 0.642818 V\n0.724922 0.775078 0.224922 Fe\n0.275078 0.224922 0.775078 Fe\n0.500000 0.777045 0.777045 Fe\n0.500000 0.222955 0.222955 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.640480 0.359520 0.640480 Fe\n0.359520 0.640480 0.359520 Fe\n0.500000 0.000000 0.000000 N\n",
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},
{
"id": "mp-1206050",
"created_at": "2022-09-04T14:45:59.758203Z",
"structure_string": "Eu2 Si2 Pt4\n1.0\n4.138602 0.000000 0.000000\n0.000000 0.000000 4.172207\n-2.069300 -9.127074 0.000000\nEu Si Pt\n2 2 4\ndirect\n0.598835 0.250000 0.197669 Eu\n0.401165 0.750000 0.802331 Eu\n0.823989 0.250000 0.647978 Si\n0.176011 0.750000 0.352022 Si\n0.952869 0.250000 0.905738 Pt\n0.047131 0.750000 0.094262 Pt\n0.251066 0.250000 0.502131 Pt\n0.748934 0.750000 0.497869 Pt\n",
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"formula_full": "Eu2 Si2 Pt4",
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{
"id": "mp-1220915",
"created_at": "2022-09-04T14:45:59.760887Z",
"structure_string": "Na3 Sm3 F12\n1.0\n6.132566 0.000000 0.000000\n3.052720 6.435943 0.000000\n3.058721 2.238349 6.038229\nNa Sm F\n3 3 12\ndirect\n0.665146 0.492704 0.156365 Na\n0.663526 0.011254 0.675368 Na\n0.331245 0.423198 0.912099 Na\n0.001809 0.998642 0.998429 Sm\n0.998062 0.497528 0.504101 Sm\n0.334465 0.920368 0.411949 Sm\n0.362695 0.004643 0.036823 F\n0.360327 0.545909 0.498824 F\n0.597361 0.161013 0.198308 F\n0.595076 0.707097 0.654357 F\n0.044374 0.278079 0.317825 F\n0.047697 0.822470 0.771091 F\n0.253176 0.626605 0.129697 F\n0.275580 0.129130 0.626669 F\n0.982094 0.379008 0.881554 F\n0.976897 0.886712 0.384209 F\n0.754708 0.734641 0.232953 F\n0.755762 0.243998 0.746378 F\n",
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{
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"structure_string": "Cr4 P8 H64 N12 O40\n1.0\n10.933833 0.000000 0.000000\n0.000000 8.438745 0.000000\n0.000000 3.440862 15.186089\nCr P H N O\n4 8 64 12 40\ndirect\n0.693267 0.633342 0.576709 Cr\n0.193267 0.366658 0.923291 Cr\n0.306733 0.366658 0.423291 Cr\n0.806733 0.633342 0.076709 Cr\n0.735748 0.360653 0.435013 P\n0.235748 0.639347 0.064987 P\n0.264252 0.639347 0.564987 P\n0.764252 0.360653 0.935013 P\n0.917591 0.371116 0.663491 P\n0.417591 0.628884 0.836509 P\n0.082409 0.628884 0.336509 P\n0.582409 0.371116 0.163491 P\n0.097786 0.761279 0.443408 H\n0.597786 0.238721 0.056592 H\n0.902214 0.238721 0.556592 H\n0.402214 0.761279 0.943408 H\n0.490553 0.799780 0.497646 H\n0.990553 0.200220 0.002354 H\n0.509447 0.200220 0.502354 H\n0.009447 0.799780 0.997646 H\n0.592648 0.799120 0.421682 H\n0.092648 0.200880 0.078318 H\n0.407352 0.200880 0.578318 H\n0.907352 0.799120 0.921682 H\n0.742010 0.775309 0.707163 H\n0.242010 0.224691 0.792837 H\n0.257990 0.224691 0.292837 H\n0.757990 0.775309 0.207163 H\n0.594623 0.821243 0.673342 H\n0.094623 0.178757 0.826658 H\n0.405377 0.178757 0.326658 H\n0.905377 0.821243 0.173342 H\n0.710258 0.172149 0.557964 H\n0.210258 0.827851 0.942036 H\n0.289742 0.827851 0.442036 H\n0.789742 0.172149 0.057964 H\n0.484977 0.559150 0.654353 H\n0.984977 0.440850 0.845647 H\n0.515023 0.440850 0.345647 H\n0.015023 0.559150 0.154353 H\n0.512125 0.440583 0.588241 H\n0.012125 0.559417 0.911759 H\n0.487875 0.559417 0.411759 H\n0.987875 0.440583 0.088241 H\n0.587211 0.359697 0.720209 H\n0.087211 0.640303 0.779791 H\n0.412789 0.640303 0.279791 H\n0.912789 0.359697 0.220209 H\n0.918414 0.765271 0.521663 H\n0.418414 0.234729 0.978337 H\n0.081586 0.234729 0.478337 H\n0.581586 0.765271 0.021663 H\n0.826871 0.761326 0.437748 H\n0.326871 0.238674 0.062252 H\n0.173129 0.238674 0.562252 H\n0.673129 0.761326 0.937748 H\n0.812994 0.909353 0.491347 H\n0.312994 0.090647 0.008653 H\n0.187006 0.090647 0.508653 H\n0.687006 0.909353 0.991347 H\n0.549147 0.794746 0.287467 H\n0.049147 0.205254 0.212533 H\n0.450853 0.205254 0.712533 H\n0.950853 0.794746 0.787467 H\n0.606161 0.956184 0.301420 H\n0.106161 0.043816 0.198580 H\n0.393839 0.043816 0.698580 H\n0.893839 0.956184 0.801420 H\n0.682780 0.223226 0.770726 H\n0.182780 0.776774 0.729274 H\n0.317220 0.776774 0.229274 H\n0.817220 0.223226 0.270726 H\n0.596859 0.285797 0.877087 H\n0.096859 0.714203 0.622913 H\n0.403141 0.714203 0.122913 H\n0.903141 0.285797 0.377087 H\n0.677278 0.766420 0.660756 N\n0.177278 0.233580 0.839244 N\n0.322722 0.233580 0.339244 N\n0.822722 0.766420 0.160756 N\n0.553397 0.490672 0.635129 N\n0.053397 0.509328 0.864871 N\n0.446603 0.509328 0.364871 N\n0.946603 0.490672 0.135129 N\n0.831274 0.788375 0.498557 N\n0.331274 0.211625 0.001443 N\n0.168726 0.211625 0.501443 N\n0.668726 0.788375 0.998557 N\n0.728378 0.490418 0.491197 O\n0.228378 0.509582 0.008803 O\n0.271622 0.509582 0.508803 O\n0.771622 0.490418 0.991197 O\n0.674601 0.191085 0.498385 O\n0.174601 0.808915 0.001615 O\n0.325399 0.808915 0.501615 O\n0.825399 0.191085 0.998385 O\n0.882886 0.302866 0.438996 O\n0.382886 0.697134 0.061004 O\n0.117114 0.697134 0.561004 O\n0.617114 0.302866 0.938996 O\n0.869219 0.224144 0.617136 O\n0.369219 0.775856 0.882864 O\n0.130781 0.775856 0.382864 O\n0.630781 0.224144 0.117136 O\n0.826298 0.511827 0.653261 O\n0.326298 0.488173 0.846739 O\n0.173702 0.488173 0.346739 O\n0.673702 0.511827 0.153261 O\n0.886825 0.271692 0.768782 O\n0.386825 0.728308 0.731218 O\n0.113175 0.728308 0.231218 O\n0.613175 0.271692 0.268782 O\n0.955604 0.126849 0.793182 O\n0.455604 0.873151 0.706818 O\n0.044396 0.873151 0.206818 O\n0.544396 0.126849 0.293182 O\n0.578833 0.783477 0.487876 O\n0.078833 0.216523 0.012124 O\n0.421167 0.216523 0.512124 O\n0.921167 0.783477 0.987876 O\n0.619044 0.834246 0.317213 O\n0.119044 0.165754 0.182787 O\n0.380956 0.165754 0.682787 O\n0.880956 0.834246 0.817213 O\n0.598441 0.260913 0.776221 O\n0.098441 0.739087 0.723779 O\n0.401559 0.739087 0.223779 O\n0.901559 0.260913 0.276221 O\n",
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"formula_full": "Cr4 P8 H64 N12 O40",
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{
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