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{
"id": "mp-1104067",
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{
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{
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"structure_string": "Ho42 Rh28\n1.0\n-5.592001 5.592001 12.575314\n5.592001 -5.592001 12.575314\n5.592001 5.592001 -12.575314\nHo Rh\n42 28\ndirect\n0.632103 0.504311 0.279148 Ho\n0.225162 0.352954 0.720852 Ho\n0.132103 0.852954 0.127792 Ho\n0.725162 0.004311 0.872208 Ho\n0.352954 0.632103 0.127792 Ho\n0.504311 0.225162 0.872208 Ho\n0.004311 0.132103 0.279148 Ho\n0.852954 0.725162 0.720852 Ho\n0.367897 0.495689 0.720852 Ho\n0.774838 0.647046 0.279148 Ho\n0.867897 0.147046 0.872208 Ho\n0.274838 0.995689 0.127792 Ho\n0.647046 0.367897 0.872208 Ho\n0.495689 0.774838 0.127792 Ho\n0.995689 0.867897 0.720852 Ho\n0.147046 0.274838 0.279148 Ho\n0.386420 0.516944 0.290154 Ho\n0.226790 0.096266 0.709846 Ho\n0.886420 0.596266 0.869476 Ho\n0.726790 0.016944 0.130524 Ho\n0.096266 0.386420 0.869476 Ho\n0.516944 0.226790 0.130524 Ho\n0.016944 0.886420 0.290154 Ho\n0.596266 0.726790 0.709846 Ho\n0.613580 0.483056 0.709846 Ho\n0.773210 0.903734 0.290154 Ho\n0.113580 0.403734 0.130524 Ho\n0.273210 0.983056 0.869476 Ho\n0.903734 0.613580 0.130524 Ho\n0.483056 0.773210 0.869476 Ho\n0.983056 0.113580 0.709846 Ho\n0.403734 0.273210 0.290154 Ho\n0.849675 0.349675 0.199351 Ho\n0.150325 0.650325 0.800649 Ho\n0.349675 0.150325 0.500000 Ho\n0.650325 0.849675 0.500000 Ho\n0.388053 0.888053 0.500000 Ho\n0.888053 0.388053 0.500000 Ho\n0.611947 0.111947 0.500000 Ho\n0.111947 0.611947 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.750000 0.250000 0.500000 Ho\n0.714816 0.214816 0.142116 Rh\n0.072700 0.572700 0.857884 Rh\n0.214816 0.072700 0.500000 Rh\n0.572700 0.714816 0.500000 Rh\n0.285184 0.785184 0.857884 Rh\n0.927300 0.427300 0.142116 Rh\n0.785184 0.927300 0.500000 Rh\n0.427300 0.285184 0.500000 Rh\n0.465807 0.965807 0.808299 Rh\n0.157508 0.657508 0.191701 Rh\n0.965807 0.157508 0.500000 Rh\n0.657508 0.465807 0.500000 Rh\n0.534193 0.034193 0.191701 Rh\n0.842492 0.342492 0.808299 Rh\n0.034193 0.842492 0.500000 Rh\n0.342492 0.534193 0.500000 Rh\n0.596827 0.096827 0.693654 Rh\n0.403173 0.903173 0.306346 Rh\n0.096827 0.403173 0.500000 Rh\n0.903173 0.596827 0.500000 Rh\n0.366343 0.366343 0.000000 Rh\n0.866343 0.866343 0.000000 Rh\n0.633657 0.633657 0.000000 Rh\n0.133657 0.133657 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.000000 Rh\n0.750000 0.750000 0.000000 Rh\n",
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"formula_full": "Ho42 Rh28",
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{
"id": "mp-1205568",
"created_at": "2022-09-04T14:44:19.994133Z",
"structure_string": "Sr2 Li1 Os1 O6\n1.0\n-3.965769 -3.965769 0.000000\n-3.965769 0.000000 -3.965769\n0.000000 -3.965769 -3.965769\nSr Li Os O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Os\n0.760110 0.760110 0.239890 O\n0.239890 0.239890 0.760110 O\n0.760110 0.239890 0.760110 O\n0.239890 0.760110 0.239890 O\n0.239890 0.760110 0.760110 O\n0.760110 0.239890 0.239890 O\n",
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{
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"structure_string": "Hf2 V4 H8\n1.0\n-2.699689 2.699689 3.947616\n2.699689 -2.699689 3.947616\n2.699689 2.699689 -3.947616\nHf V H\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.250000 0.500000 Hf\n0.375000 0.625000 0.750000 V\n0.875000 0.625000 0.250000 V\n0.375000 0.125000 0.750000 V\n0.375000 0.625000 0.250000 V\n0.628792 0.992410 0.998927 H\n0.370135 0.371208 0.363618 H\n0.756518 0.620135 0.498927 H\n0.007590 0.006518 0.636382 H\n0.742410 0.243482 0.863618 H\n0.993482 0.629865 0.001073 H\n0.379865 0.878792 0.136382 H\n0.121208 0.257590 0.501073 H\n",
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"formula_full": "Hf2 V4 H8",
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{
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{
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"structure_string": "Hg4 Te8 O24\n1.0\n12.804917 0.000000 0.000000\n0.000000 6.572907 0.000000\n0.000000 4.275360 7.543358\nHg Te O\n4 8 24\ndirect\n0.907528 0.325391 0.753717 Hg\n0.407528 0.674609 0.746283 Hg\n0.592472 0.325391 0.253717 Hg\n0.092472 0.674609 0.246283 Hg\n0.120220 0.660566 0.664288 Te\n0.620220 0.339434 0.835712 Te\n0.205979 0.126225 0.781005 Te\n0.705979 0.873775 0.718995 Te\n0.294021 0.126225 0.281005 Te\n0.794021 0.873775 0.218995 Te\n0.379780 0.660566 0.164288 Te\n0.879780 0.339434 0.335712 Te\n0.094913 0.368755 0.641609 O\n0.483908 0.363686 0.751661 O\n0.850081 0.172657 0.580329 O\n0.733021 0.512973 0.690185 O\n0.233021 0.487027 0.809815 O\n0.627400 0.999255 0.513309 O\n0.983908 0.636314 0.748339 O\n0.148177 0.945796 0.672776 O\n0.648177 0.054204 0.827224 O\n0.405087 0.368755 0.141609 O\n0.127400 0.000745 0.986691 O\n0.649919 0.172657 0.080329 O\n0.350081 0.827343 0.919671 O\n0.872600 0.999255 0.013309 O\n0.594913 0.631245 0.858391 O\n0.351823 0.945796 0.172776 O\n0.851823 0.054204 0.327224 O\n0.016092 0.363686 0.251661 O\n0.372600 0.000745 0.486691 O\n0.766979 0.512973 0.190185 O\n0.266979 0.487027 0.309815 O\n0.149919 0.827343 0.419671 O\n0.516092 0.636314 0.248339 O\n0.905087 0.631245 0.358391 O\n",
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{
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"structure_string": "Cr2 Si2 H24 O12 F12\n1.0\n6.470282 0.083374 -0.085658\n-0.588859 6.390236 -0.117174\n-1.536540 -1.745537 12.809712\nCr Si H O F\n2 2 24 12 12\ndirect\n0.998891 0.999686 0.499766 Cr\n0.000725 0.000295 0.000299 Cr\n0.502450 0.496514 0.249545 Si\n0.497550 0.503402 0.750471 Si\n0.178575 0.679189 0.389577 H\n0.173816 0.682081 0.889941 H\n0.219322 0.812645 0.154697 H\n0.218181 0.819939 0.654075 H\n0.335753 0.224310 0.407242 H\n0.333577 0.223680 0.907336 H\n0.666631 0.776724 0.092607 H\n0.664341 0.775772 0.592804 H\n0.781087 0.180006 0.345153 H\n0.780829 0.186744 0.845464 H\n0.826646 0.317854 0.110456 H\n0.821401 0.321033 0.610320 H\n0.064650 0.402008 0.103813 H\n0.057768 0.406390 0.602755 H\n0.217363 0.057297 0.199943 H\n0.214349 0.065300 0.698218 H\n0.573084 0.786881 0.474724 H\n0.572856 0.792249 0.975444 H\n0.427748 0.208449 0.024555 H\n0.426479 0.212872 0.525346 H\n0.784798 0.934516 0.301099 H\n0.783011 0.942062 0.800542 H\n0.942269 0.593390 0.397139 H\n0.935937 0.598184 0.896561 H\n0.061641 0.695553 0.430425 O\n0.056758 0.697705 0.930765 O\n0.144610 0.938913 0.148421 O\n0.142160 0.945373 0.647375 O\n0.320132 0.148622 0.466479 O\n0.319386 0.146481 0.966201 O\n0.680330 0.855038 0.034108 O\n0.679708 0.851211 0.533448 O\n0.857441 0.054701 0.351643 O\n0.855767 0.060689 0.851964 O\n0.943903 0.302330 0.069729 O\n0.938285 0.304460 0.569464 O\n0.329537 0.302451 0.278125 F\n0.324836 0.308140 0.778452 F\n0.310441 0.558937 0.156516 F\n0.305168 0.566431 0.657984 F\n0.421729 0.675351 0.343379 F\n0.417879 0.682902 0.844303 F\n0.582043 0.316953 0.155789 F\n0.578172 0.324479 0.656650 F\n0.694802 0.433544 0.342034 F\n0.689579 0.441054 0.843488 F\n0.675160 0.691697 0.221491 F\n0.670448 0.697513 0.721875 F\n",
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{
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},
{
"id": "mp-1080851",
"created_at": "2022-09-04T14:44:20.029588Z",
"structure_string": "Ce12 Se24\n1.0\n6.602196 0.000000 0.000000\n0.000000 7.769903 0.000000\n0.000000 0.000000 21.621693\nCe Se\n12 24\ndirect\n0.000000 0.000895 0.750000 Ce\n0.500000 0.499105 0.250000 Ce\n0.000000 0.999105 0.250000 Ce\n0.500000 0.500895 0.750000 Ce\n0.998916 0.683800 0.582563 Ce\n0.501084 0.816200 0.082563 Ce\n0.498916 0.816200 0.417437 Ce\n0.001084 0.683800 0.917437 Ce\n0.001084 0.316200 0.417437 Ce\n0.498916 0.183800 0.917437 Ce\n0.501084 0.183800 0.582563 Ce\n0.998916 0.316200 0.082563 Ce\n0.266080 0.919932 0.523310 Se\n0.233920 0.580068 0.023310 Se\n0.766080 0.580068 0.476690 Se\n0.733920 0.919932 0.976690 Se\n0.733920 0.080068 0.476690 Se\n0.766080 0.419932 0.976690 Se\n0.233920 0.419932 0.523310 Se\n0.266080 0.080068 0.023310 Se\n0.757686 0.937256 0.644167 Se\n0.742314 0.562744 0.144167 Se\n0.257686 0.562744 0.355833 Se\n0.242314 0.937256 0.855833 Se\n0.242314 0.062744 0.355833 Se\n0.257686 0.437256 0.855833 Se\n0.742314 0.437256 0.644167 Se\n0.757686 0.062744 0.144167 Se\n0.251729 0.756486 0.687968 Se\n0.248271 0.743514 0.187968 Se\n0.751729 0.743514 0.312032 Se\n0.748271 0.756486 0.812032 Se\n0.748271 0.243514 0.312032 Se\n0.751729 0.256486 0.812032 Se\n0.248271 0.256486 0.687968 Se\n0.251729 0.243514 0.187968 Se\n",
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"elements": [
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"chemical_system": "Ce-Se",
"density": 5.354332816133737,
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"formula_full": "Ce12 Se24",
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"updated_at": "2021-11-28T01:36:28.158000Z",
"spacegroup": 60
},
{
"id": "mp-998864",
"created_at": "2022-09-04T14:44:20.031647Z",
"structure_string": "Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
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"volume": 38.76103018184613,
"volume_molar": 23.342437975768583,
"formula_full": "Br1",
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"updated_at": "2021-11-28T01:36:36.553000Z",
"spacegroup": 71
}
]
}