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{
"id": "mp-1112525",
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{
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"structure_string": "Li2 Mg2 Al6 Se12 O48\n1.0\n8.530388 0.000000 0.000000\n0.040786 9.091109 0.000000\n0.014790 1.096190 12.417750\nLi Mg Al Se O\n2 2 6 12 48\ndirect\n0.775641 0.598509 0.030065 Li\n0.331509 0.726271 0.907221 Li\n0.497274 0.789013 0.145870 Mg\n0.998612 0.707403 0.845678 Mg\n0.501537 0.799348 0.646154 Al\n0.499165 0.217380 0.855647 Al\n0.997635 0.288176 0.641328 Al\n0.002022 0.296733 0.152066 Al\n0.001654 0.713686 0.360297 Al\n0.498352 0.194794 0.351338 Al\n0.856910 0.641004 0.603407 Se\n0.790525 0.000161 0.251916 Se\n0.648308 0.136837 0.606723 Se\n0.356540 0.152063 0.105356 Se\n0.854654 0.351781 0.895107 Se\n0.292795 0.500944 0.747934 Se\n0.713939 0.491444 0.251137 Se\n0.133966 0.638866 0.111272 Se\n0.641159 0.862906 0.885273 Se\n0.351884 0.856611 0.397757 Se\n0.222244 0.009824 0.746033 Se\n0.143043 0.356090 0.394809 Se\n0.813176 0.607804 0.320075 O\n0.671199 0.658908 0.643835 O\n0.987402 0.703420 0.685563 O\n0.879622 0.735299 0.483942 O\n0.938553 0.915137 0.318826 O\n0.654774 0.952746 0.633836 O\n0.667915 0.057375 0.345938 O\n0.586216 0.031524 0.907799 O\n0.856193 0.141525 0.169722 O\n0.309964 0.134552 0.815336 O\n0.526178 0.191883 0.506231 O\n0.830505 0.187113 0.575763 O\n0.169238 0.165597 0.142938 O\n0.588909 0.218374 0.713755 O\n0.478259 0.215277 0.197162 O\n0.921522 0.279648 0.786447 O\n0.390816 0.252799 0.989450 O\n0.675030 0.292592 0.926789 O\n0.978154 0.299076 0.995019 O\n0.651308 0.355494 0.338436 O\n0.446501 0.415482 0.808209 O\n0.882007 0.460113 0.592922 O\n0.832993 0.436771 0.150842 O\n0.149732 0.455589 0.137827 O\n0.837705 0.536039 0.880199 O\n0.195121 0.570035 0.849259 O\n0.113565 0.535473 0.405732 O\n0.573636 0.573310 0.177019 O\n0.356810 0.636303 0.659964 O\n0.998389 0.687957 0.018333 O\n0.307746 0.695156 0.064009 O\n0.612978 0.751925 0.997482 O\n0.090928 0.724209 0.220079 O\n0.509413 0.789456 0.801904 O\n0.416130 0.768714 0.297104 O\n0.823699 0.862287 0.844681 O\n0.169297 0.807841 0.432027 O\n0.477031 0.808041 0.497710 O\n0.704441 0.888919 0.173374 O\n0.169197 0.873023 0.836833 O\n0.381610 0.975302 0.093258 O\n0.335906 0.946590 0.650273 O\n0.347060 0.041372 0.369457 O\n0.066747 0.088098 0.685309 O\n0.109615 0.260291 0.512072 O\n0.018778 0.289890 0.306814 O\n0.331694 0.339127 0.361443 O\n0.186470 0.391203 0.678115 O\n",
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"formula_full": "Li2 Mg2 Al6 Se12 O48",
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{
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"structure_string": "Sr8 Fe4 Re4 O24\n1.0\n4.867792 -0.001207 -2.781225\n-1.594709 4.595526 2.856361\n8.049004 -9.213520 14.066454\nSr Fe Re O\n8 4 4 24\ndirect\n0.687596 0.375853 0.062707 Sr\n0.186941 0.374321 0.561396 Sr\n0.937249 0.874816 0.812225 Sr\n0.437989 0.875178 0.313773 Sr\n0.313117 0.625719 0.938697 Sr\n0.812394 0.624135 0.437179 Sr\n0.562751 0.125261 0.687966 Sr\n0.061942 0.124781 0.186090 Sr\n0.874734 0.749365 0.624454 Fe\n0.625261 0.250461 0.875619 Fe\n0.374656 0.752007 0.127838 Fe\n0.125422 0.247992 0.372101 Fe\n0.999848 0.999637 0.999170 Re\n0.500227 0.000417 0.500863 Re\n0.250000 0.500000 0.750021 Re\n0.749965 0.499957 0.249950 Re\n0.816849 0.631946 0.938515 O\n0.315350 0.631781 0.438927 O\n0.066582 0.132577 0.688955 O\n0.566516 0.131850 0.188335 O\n0.184496 0.367963 0.061022 O\n0.683332 0.368375 0.561553 O\n0.433463 0.867534 0.811082 O\n0.933384 0.867997 0.311594 O\n0.280213 0.139925 0.929714 O\n0.781084 0.140138 0.430364 O\n0.528922 0.640399 0.679825 O\n0.030578 0.641553 0.179315 O\n0.478883 0.396194 0.802337 O\n0.979481 0.394891 0.302564 O\n0.727880 0.895168 0.552796 O\n0.227338 0.895389 0.052466 O\n0.772271 0.104689 0.947272 O\n0.272493 0.104783 0.447512 O\n0.021226 0.603834 0.697704 O\n0.520401 0.605070 0.197360 O\n0.971026 0.359612 0.820218 O\n0.469479 0.358440 0.320603 O\n0.219555 0.860067 0.570373 O\n0.719105 0.859924 0.069550 O\n",
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"formula_full": "Sr8 Fe4 Re4 O24",
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{
"id": "mp-1111177",
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"structure_string": "K3 Ce1 Cl6\n1.0\n0.000000 5.728631 5.728631\n5.728631 0.000000 5.728631\n5.728631 5.728631 0.000000\nK Ce Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.239128 0.239128 0.760872 Cl\n0.239128 0.760872 0.760872 Cl\n0.760872 0.760872 0.239128 Cl\n0.239128 0.760872 0.239128 Cl\n0.760872 0.239128 0.760872 Cl\n0.760872 0.239128 0.239128 Cl\n",
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"density": 2.0762684493649184,
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"formula_full": "K3 Ce1 Cl6",
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{
"id": "mp-1283838",
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"structure_string": "Co4 H4 O8\n1.0\n2.778453 -0.184450 3.983487\n-4.401290 2.694294 0.854091\n-2.357194 -5.199969 1.988962\nCo H O\n4 4 8\ndirect\n0.002406 0.496591 0.749992 Co\n0.998135 0.991403 0.497404 Co\n0.001535 0.508190 0.252582 Co\n0.997878 0.003734 0.000022 Co\n0.455541 0.985623 0.755268 H\n0.538720 0.009297 0.242838 H\n0.460014 0.489847 0.506947 H\n0.545233 0.515182 0.994799 H\n0.223746 0.901283 0.756164 O\n0.221439 0.917682 0.251086 O\n0.226965 0.412811 0.503892 O\n0.213307 0.398330 0.007718 O\n0.786943 0.101946 0.742267 O\n0.772406 0.086603 0.245843 O\n0.778888 0.582225 0.499121 O\n0.776843 0.599253 0.994058 O\n",
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{
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{
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"structure_string": "Mg6 Cu1 Sn1 O8\n1.0\n8.858584 0.000000 0.000000\n0.000000 4.398623 0.000000\n0.000000 0.000000 4.398623\nMg Cu Sn O\n6 1 1 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.230721 -0.000000 0.500000 Mg\n0.769278 0.000000 0.500000 Mg\n0.230721 0.500000 0.000000 Mg\n0.769278 0.500000 -0.000000 Mg\n-0.000000 -0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Sn\n0.248834 0.000000 -0.000000 O\n0.751166 -0.000000 0.000000 O\n0.251057 0.500000 0.500000 O\n0.748943 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-1521248",
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"structure_string": "K1 Ba1 La1 Se1 O6\n1.0\n0.000000 -4.207574 -4.207574\n4.207574 0.000000 -4.207574\n4.207574 -4.207574 0.000000\nK Ba La Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n0.719713 0.280287 0.280287 O\n0.280287 0.719713 0.719713 O\n0.719713 0.280287 0.719713 O\n0.280287 0.719713 0.280287 O\n0.719713 0.719713 0.280287 O\n0.280287 0.280287 0.719713 O\n",
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"formula_full": "K1 Ba1 La1 Se1 O6",
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{
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"structure_string": "Mn2 Cr1 Fe3 P6 O24\n1.0\n7.447613 -4.319752 0.000000\n7.447613 4.319752 0.000000\n4.942077 0.000000 7.050041\nMn Cr Fe P O\n2 1 3 6 24\ndirect\n0.998691 0.998691 0.998691 Mn\n0.499655 0.499655 0.499655 Mn\n0.142946 0.142946 0.142946 Cr\n0.854674 0.854674 0.854674 Fe\n0.646015 0.646015 0.646015 Fe\n0.354510 0.354510 0.354510 Fe\n0.957350 0.250536 0.541609 P\n0.541609 0.957350 0.250536 P\n0.250536 0.541609 0.957350 P\n0.751709 0.455666 0.044844 P\n0.455666 0.044844 0.751709 P\n0.044844 0.751709 0.455666 P\n0.886283 0.693810 0.489678 O\n0.693810 0.489678 0.886283 O\n0.941761 0.088269 0.736990 O\n0.489678 0.886283 0.693810 O\n0.998354 0.186253 0.382779 O\n0.761283 0.412687 0.552751 O\n0.736990 0.941761 0.088269 O\n0.552751 0.761283 0.412687 O\n0.814328 0.612181 0.006529 O\n0.412687 0.552751 0.761283 O\n0.916108 0.258597 0.062427 O\n0.612181 0.006529 0.814328 O\n0.382779 0.998354 0.186253 O\n0.088269 0.736990 0.941761 O\n0.590605 0.437857 0.241502 O\n0.186253 0.382779 0.998354 O\n0.437857 0.241502 0.590605 O\n0.258597 0.062427 0.916108 O\n0.241502 0.590605 0.437857 O\n0.006529 0.814328 0.612181 O\n0.503031 0.111489 0.316242 O\n0.062427 0.916108 0.258597 O\n0.316242 0.503031 0.111489 O\n0.111489 0.316242 0.503031 O\n",
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{
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"formula_full": "Gd1 Al6 Fe6",
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{
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"formula_full": "Li12 Co2 Ni2 P4 C4 O28",
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},
{
"id": "mp-1215667",
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"structure_string": "Yb4 Sc4 Sb4 O1\n1.0\n4.474944 0.000000 0.000000\n0.000000 4.474944 0.000000\n0.000000 0.000000 16.125746\nYb Sc Sb O\n4 4 4 1\ndirect\n0.500000 0.500000 0.332100 Yb\n0.000000 0.000000 0.834177 Yb\n0.000000 0.000000 0.165823 Yb\n0.500000 0.500000 0.667900 Yb\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.131145 Sb\n0.000000 0.000000 0.630857 Sb\n0.000000 0.000000 0.369143 Sb\n0.500000 0.500000 0.868855 Sb\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Yb4 Sc4 Sb4 O1",
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}