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{
"id": "mp-1211454",
"created_at": "2022-09-04T14:48:04.228760Z",
"structure_string": "K2 Lu2 Mo4 O16\n1.0\n5.132542 5.351565 0.000000\n-5.132542 5.351565 0.000000\n0.000000 5.017987 5.777460\nK Lu Mo O\n2 2 4 16\ndirect\n0.199395 0.800605 0.750000 K\n0.800605 0.199395 0.250000 K\n0.771567 0.228433 0.750000 Lu\n0.228433 0.771567 0.250000 Lu\n0.697379 0.698347 0.762439 Mo\n0.302621 0.301653 0.237561 Mo\n0.301653 0.302621 0.737561 Mo\n0.698348 0.697379 0.262439 Mo\n0.612607 0.771085 0.558480 O\n0.387393 0.228915 0.441520 O\n0.228915 0.387393 0.941520 O\n0.771085 0.612607 0.058480 O\n0.380294 0.062073 0.882330 O\n0.619707 0.937927 0.117670 O\n0.937927 0.619706 0.617670 O\n0.062073 0.380293 0.382330 O\n0.588725 0.366205 0.966069 O\n0.411275 0.633795 0.033931 O\n0.633795 0.411275 0.533931 O\n0.366205 0.588725 0.466069 O\n0.792532 0.958359 0.692078 O\n0.207468 0.041641 0.307922 O\n0.041641 0.207468 0.807922 O\n0.958359 0.792532 0.192078 O\n",
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{
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"structure_string": "Sm14 Al14 Co12\n1.0\n0.000000 0.000000 4.164975\n13.636925 0.000000 0.000000\n0.000000 13.636925 0.000000\nSm Al Co\n14 14 12\ndirect\n0.500000 0.631445 0.131445 Sm\n0.500000 0.368555 0.868555 Sm\n0.500000 0.868555 0.631445 Sm\n0.500000 0.131445 0.368555 Sm\n0.000000 0.262407 0.046404 Sm\n0.000000 0.737593 0.953596 Sm\n0.000000 0.953596 0.262407 Sm\n0.000000 0.237593 0.546404 Sm\n0.000000 0.046404 0.737593 Sm\n0.000000 0.762407 0.453596 Sm\n0.000000 0.546404 0.762407 Sm\n0.000000 0.453596 0.237593 Sm\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.212821 0.712821 Al\n0.500000 0.787179 0.287179 Al\n0.500000 0.287179 0.212821 Al\n0.500000 0.712821 0.787179 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.097064 0.138473 Al\n0.500000 0.902936 0.861527 Al\n0.500000 0.861527 0.097064 Al\n0.500000 0.402936 0.638473 Al\n0.500000 0.138473 0.902936 Al\n0.500000 0.597064 0.361527 Al\n0.500000 0.638473 0.597064 Al\n0.500000 0.361527 0.402936 Al\n0.500000 0.074292 0.574292 Co\n0.500000 0.925708 0.425708 Co\n0.500000 0.425708 0.074292 Co\n0.500000 0.574292 0.925708 Co\n0.000000 0.163791 0.212561 Co\n0.000000 0.836209 0.787439 Co\n0.000000 0.787439 0.163791 Co\n0.000000 0.336209 0.712561 Co\n0.000000 0.212561 0.836209 Co\n0.000000 0.663791 0.287439 Co\n0.000000 0.712561 0.663791 Co\n0.000000 0.287439 0.336209 Co\n",
"nsites": 40,
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"elements": [
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"volume": 774.5425890495917,
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"formula_full": "Sm14 Al14 Co12",
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"spacegroup": 127
},
{
"id": "mp-1096281",
"created_at": "2022-09-04T14:48:04.301733Z",
"structure_string": "Li1 Al1 Hg2\n1.0\n-5.474413 5.542937 7.827661\n5.474413 -5.542937 7.827661\n5.474413 5.542937 -7.827661\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.245915 0.245915 Hg\n0.000000 0.754085 0.754085 Hg\n",
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"formula_full": "Li1 Al1 Hg2",
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"spacegroup": 71
},
{
"id": "mp-1227775",
"created_at": "2022-09-04T14:48:04.308650Z",
"structure_string": "Ba1 Sr3 Zr4 O12\n1.0\n5.911003 -0.000464 0.000000\n-0.000372 5.937010 0.000000\n0.000000 0.000000 8.352547\nBa Sr Zr O\n1 3 4 12\ndirect\n0.496360 0.012554 0.250000 Ba\n0.008806 0.526259 0.250000 Sr\n0.506353 0.969772 0.750000 Sr\n0.997970 0.478657 0.750000 Sr\n0.500001 0.497169 0.997512 Zr\n0.001261 0.001182 0.503099 Zr\n0.500001 0.497169 0.502488 Zr\n0.001261 0.001182 0.996901 Zr\n0.574467 0.497184 0.250000 O\n0.947143 0.980788 0.250000 O\n0.426675 0.511781 0.750000 O\n0.078832 0.023254 0.750000 O\n0.270695 0.771648 0.026932 O\n0.216369 0.283608 0.462778 O\n0.719953 0.220366 0.540271 O\n0.773419 0.725902 0.958930 O\n0.719953 0.220366 0.959729 O\n0.773419 0.725902 0.541070 O\n0.270695 0.771648 0.473068 O\n0.216369 0.283608 0.037222 O\n",
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"volume": 293.1216429118309,
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"formula_full": "Ba1 Sr3 Zr4 O12",
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"spacegroup": 6
},
{
"id": "mp-1198813",
"created_at": "2022-09-04T14:48:04.309612Z",
"structure_string": "Mo4 H32 N8 O16\n1.0\n7.942858 0.000000 0.000000\n0.000000 6.290840 0.000000\n0.000000 4.568204 11.220808\nMo H N O\n4 32 8 16\ndirect\n0.870367 0.416534 0.313187 Mo\n0.629633 0.416534 0.813187 Mo\n0.129633 0.583466 0.686813 Mo\n0.370367 0.583466 0.186813 Mo\n0.595349 0.725488 0.414351 H\n0.904651 0.725488 0.914351 H\n0.404651 0.274512 0.585649 H\n0.095349 0.274512 0.085649 H\n0.523257 0.730258 0.543572 H\n0.976743 0.730258 0.043572 H\n0.476743 0.269742 0.456428 H\n0.023257 0.269742 0.956428 H\n0.733210 0.691094 0.528995 H\n0.766790 0.691094 0.028995 H\n0.266790 0.308906 0.471005 H\n0.233210 0.308906 0.971005 H\n0.647435 0.950788 0.452817 H\n0.852565 0.950788 0.952817 H\n0.352565 0.049212 0.547183 H\n0.147435 0.049212 0.047183 H\n0.726537 0.211737 0.153351 H\n0.773463 0.211737 0.653351 H\n0.273463 0.788263 0.846649 H\n0.226537 0.788263 0.346649 H\n0.523476 0.135126 0.196722 H\n0.976524 0.135126 0.696722 H\n0.476524 0.864874 0.803278 H\n0.023476 0.864874 0.303278 H\n0.583709 0.160287 0.060512 H\n0.916291 0.160287 0.560512 H\n0.416291 0.839713 0.939488 H\n0.083709 0.839713 0.439488 H\n0.666449 0.940719 0.181516 H\n0.833551 0.940719 0.681516 H\n0.333551 0.059281 0.818484 H\n0.166449 0.059281 0.318484 H\n0.625077 0.773563 0.485012 N\n0.874923 0.773563 0.985012 N\n0.374923 0.226437 0.514988 N\n0.125077 0.226437 0.014988 N\n0.624397 0.109895 0.147958 N\n0.875603 0.109895 0.647958 N\n0.375603 0.890105 0.852042 N\n0.124397 0.890105 0.352042 N\n0.838479 0.722016 0.263799 O\n0.661521 0.722016 0.763799 O\n0.161521 0.277984 0.736201 O\n0.338479 0.277984 0.236201 O\n0.046698 0.334821 0.413144 O\n0.453302 0.334821 0.913144 O\n0.953302 0.665179 0.586856 O\n0.546698 0.665179 0.086856 O\n0.908499 0.335220 0.187686 O\n0.591501 0.335220 0.687686 O\n0.091501 0.664780 0.812314 O\n0.408499 0.664780 0.312314 O\n0.689565 0.259714 0.393758 O\n0.810435 0.259714 0.893758 O\n0.310435 0.740286 0.606242 O\n0.189565 0.740286 0.106242 O\n",
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"formula_full": "Mo4 H32 N8 O16",
"formula_reduced": "MoH8(NO2)2",
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"spacegroup": 14
},
{
"id": "mp-1021282",
"created_at": "2022-09-04T14:48:04.386850Z",
"structure_string": "Na2 Li2 Mg12\n1.0\n5.241439 0.000000 0.000000\n0.000000 6.446169 0.000000\n0.000000 0.000000 11.152115\nNa Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.168228 Na\n0.500000 0.000000 0.668228 Na\n0.000000 0.500000 0.334912 Li\n0.000000 0.000000 0.834912 Li\n0.000000 0.246976 0.081953 Mg\n0.000000 0.753024 0.081953 Mg\n0.000000 0.500000 0.833469 Mg\n0.500000 0.248183 0.916602 Mg\n0.500000 0.751817 0.916602 Mg\n0.500000 0.500000 0.666282 Mg\n0.000000 0.746976 0.581953 Mg\n0.000000 0.253024 0.581953 Mg\n0.000000 0.000000 0.333469 Mg\n0.500000 0.748183 0.416602 Mg\n0.500000 0.251817 0.416602 Mg\n0.500000 0.000000 0.166282 Mg\n",
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"formula_full": "Na2 Li2 Mg12",
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{
"id": "mp-707226",
"created_at": "2022-09-04T14:48:03.904817Z",
"structure_string": "H32 Se8 N8 O20\n1.0\n7.211656 0.000000 0.000000\n0.000000 7.638631 0.000000\n0.000000 0.000000 13.227706\nH Se N O\n32 8 8 20\ndirect\n0.103657 0.610015 0.951761 H\n0.603657 0.889985 0.048239 H\n0.896343 0.110015 0.548239 H\n0.396343 0.389985 0.451761 H\n0.080989 0.633629 0.080450 H\n0.580989 0.866371 0.919550 H\n0.919011 0.133629 0.419550 H\n0.419011 0.366371 0.580450 H\n0.015458 0.793744 0.001667 H\n0.515458 0.706256 0.998333 H\n0.984542 0.293744 0.498333 H\n0.484542 0.206256 0.501667 H\n0.887474 0.603173 0.008062 H\n0.387474 0.896827 0.991938 H\n0.112526 0.103173 0.491938 H\n0.612526 0.396827 0.508062 H\n0.662744 0.299945 0.249249 H\n0.162744 0.200055 0.750751 H\n0.337256 0.799945 0.250751 H\n0.837256 0.700055 0.749249 H\n0.622674 0.512407 0.282410 H\n0.122674 0.987593 0.717590 H\n0.377326 0.012407 0.217590 H\n0.877326 0.487593 0.782410 H\n0.607747 0.447104 0.156736 H\n0.107747 0.052896 0.843264 H\n0.392253 0.947104 0.343264 H\n0.892253 0.552896 0.656736 H\n0.446223 0.385267 0.241693 H\n0.946223 0.114733 0.758307 H\n0.553777 0.885267 0.258307 H\n0.053777 0.614733 0.741693 H\n0.166694 0.204096 0.040480 Se\n0.666694 0.295904 0.959520 Se\n0.833306 0.704096 0.459520 Se\n0.333306 0.795904 0.540480 Se\n0.928099 0.006790 0.211128 Se\n0.428099 0.493210 0.788872 Se\n0.071901 0.506790 0.288872 Se\n0.571901 0.993210 0.711128 Se\n0.019562 0.658623 0.009694 N\n0.519562 0.841377 0.990306 N\n0.980438 0.158623 0.490306 N\n0.480438 0.341377 0.509694 N\n0.585441 0.411883 0.232054 N\n0.085441 0.088117 0.767946 N\n0.414559 0.911883 0.267946 N\n0.914559 0.588117 0.732054 N\n0.339531 0.172060 0.123841 O\n0.839531 0.327940 0.876159 O\n0.660469 0.672060 0.376159 O\n0.160469 0.827940 0.623841 O\n0.147657 0.008077 0.978752 O\n0.647657 0.491923 0.021248 O\n0.852343 0.508077 0.521248 O\n0.352343 0.991923 0.478752 O\n0.956200 0.201758 0.123160 O\n0.456200 0.298242 0.876840 O\n0.043800 0.701758 0.376840 O\n0.543800 0.798242 0.623160 O\n0.805821 0.115637 0.301122 O\n0.305821 0.384363 0.698878 O\n0.194179 0.615637 0.198878 O\n0.694179 0.884363 0.801122 O\n0.773019 0.885557 0.147674 O\n0.273019 0.614443 0.852326 O\n0.226981 0.385557 0.352326 O\n0.726981 0.114443 0.647674 O\n",
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"formula_full": "H32 Se8 N8 O20",
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{
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{
"id": "mp-1184635",
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{
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{
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],
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{
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"structure_string": "Zr3 Mn1\n1.0\n4.373220 0.000000 0.000000\n0.000000 4.373220 0.000000\n0.000000 0.000000 4.373220\nZr Mn\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Mn\n",
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]
}