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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:45:25.616165Z",
"structure_string": "Ce2 Hf2 O28\n1.0\n-5.326627 -5.326627 0.000000\n-5.326627 0.000000 -5.326627\n0.000000 -5.326627 -5.326627\nCe Hf O\n2 2 28\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Hf\n0.875000 0.875000 0.875000 O\n0.375000 0.875000 0.875000 O\n0.875000 0.375000 0.875000 O\n0.875000 0.875000 0.375000 O\n0.517483 0.517483 0.179090 O\n0.785944 0.179090 0.517483 O\n0.179090 0.785944 0.517483 O\n0.517483 0.179090 0.517483 O\n0.964056 0.232517 0.570910 O\n0.232517 0.232517 0.570910 O\n0.517483 0.517483 0.785944 O\n0.179090 0.517483 0.785944 O\n0.232517 0.570910 0.232517 O\n0.964056 0.570910 0.232517 O\n0.785944 0.517483 0.179090 O\n0.232517 0.964056 0.232517 O\n0.570910 0.964056 0.232517 O\n0.517483 0.785944 0.517483 O\n0.570910 0.232517 0.964056 O\n0.232517 0.232517 0.964056 O\n0.179090 0.517483 0.517483 O\n0.517483 0.179090 0.785944 O\n0.785944 0.517483 0.517483 O\n0.517483 0.785944 0.179090 O\n0.232517 0.570910 0.964056 O\n0.570910 0.232517 0.232517 O\n0.232517 0.964056 0.570910 O\n0.964056 0.232517 0.232517 O\n",
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{
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{
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{
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"structure_string": "Li6 Ni5 O10\n1.0\n5.173842 0.000000 0.000000\n2.210685 5.184301 0.000000\n2.546994 1.684181 7.117805\nLi Ni O\n6 5 10\ndirect\n0.163524 0.105271 0.955229 Li\n0.722771 0.073572 0.745869 Li\n0.719098 0.924524 0.406250 Li\n0.277229 0.926428 0.254131 Li\n0.280902 0.075476 0.593750 Li\n0.836476 0.894729 0.044771 Li\n0.902831 0.504176 0.697317 Ni\n0.308440 0.512433 0.895427 Ni\n0.097169 0.495824 0.302683 Ni\n0.691560 0.487567 0.104573 Ni\n0.500000 0.500000 0.500000 Ni\n0.114776 0.292817 0.141764 O\n0.743436 0.268077 0.920497 O\n0.329958 0.285628 0.724343 O\n0.256564 0.731923 0.079503 O\n0.919536 0.296306 0.540193 O\n0.885224 0.707183 0.858236 O\n0.504459 0.285940 0.352308 O\n0.495541 0.714060 0.647692 O\n0.080464 0.703694 0.459807 O\n0.670042 0.714372 0.275657 O\n",
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"elements": [
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],
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"density": 4.306244727450941,
"density_atomic": 0.1099942133717083,
"volume": 190.9191343460385,
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"formula_full": "Li6 Ni5 O10",
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"updated_at": "2021-11-28T01:37:06.051000Z",
"spacegroup": 2
},
{
"id": "mp-1182806",
"created_at": "2022-09-04T14:45:23.282095Z",
"structure_string": "K16 Fe4\n1.0\n-6.428810 6.428822 24.936320\n6.428810 -6.428822 24.936320\n6.428822 6.428810 -24.936320\nK Fe\n16 4\ndirect\n0.773093 0.120274 0.009822 K\n0.110452 0.763272 0.990178 K\n0.639548 0.486728 0.509822 K\n0.976907 0.129726 0.490178 K\n0.879726 0.889548 0.652820 K\n0.236728 0.226907 0.347180 K\n0.513272 0.023093 0.152820 K\n0.870274 0.360452 0.847180 K\n0.609176 0.637768 0.354025 K\n0.283742 0.255151 0.645975 K\n0.466258 0.994849 0.854025 K\n0.140824 0.612232 0.145975 K\n0.362232 0.716258 0.971409 K\n0.744849 0.390824 0.028591 K\n0.005151 0.859176 0.471409 K\n0.387768 0.533742 0.528591 K\n0.993234 0.493234 0.500000 Fe\n0.756766 0.756766 0.000000 Fe\n0.506766 0.006766 0.500000 Fe\n0.243234 0.243234 0.000000 Fe\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:36:59.926000Z",
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{
"id": "mp-557953",
"created_at": "2022-09-04T14:45:23.283166Z",
"structure_string": "Hg24 Te8 O48\n1.0\n-6.875980 6.875980 6.875980\n6.875980 -6.875980 6.875980\n6.875980 6.875980 -6.875980\nHg Te O\n24 8 48\ndirect\n0.687357 0.593679 0.343679 Hg\n0.187357 0.843679 0.093679 Hg\n0.250000 0.656321 0.843679 Hg\n0.093679 0.406321 0.250000 Hg\n0.593679 0.343679 0.687357 Hg\n0.656321 0.312643 0.406321 Hg\n0.156321 0.906321 0.812643 Hg\n0.906321 0.812643 0.156321 Hg\n0.812643 0.156321 0.906321 Hg\n0.750000 0.343679 0.156321 Hg\n0.843679 0.093679 0.187357 Hg\n0.312643 0.406321 0.656321 Hg\n0.906321 0.593679 0.750000 Hg\n0.750000 0.906321 0.593679 Hg\n0.250000 0.093679 0.406321 Hg\n0.593679 0.750000 0.906321 Hg\n0.406321 0.250000 0.093679 Hg\n0.406321 0.656321 0.312643 Hg\n0.343679 0.156321 0.750000 Hg\n0.843679 0.250000 0.656321 Hg\n0.656321 0.843679 0.250000 Hg\n0.343679 0.687357 0.593679 Hg\n0.156321 0.750000 0.343679 Hg\n0.093679 0.187357 0.843679 Hg\n0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.641788 0.650647 0.504983 O\n0.854336 0.504983 0.363195 O\n0.004983 0.354336 0.863195 O\n0.491142 0.136805 0.641788 O\n0.650647 0.504983 0.641788 O\n0.004983 0.150647 0.141788 O\n0.504983 0.641788 0.650647 O\n0.650647 0.645664 0.008858 O\n0.150647 0.508858 0.145664 O\n0.991142 0.349353 0.354336 O\n0.863195 0.004983 0.354336 O\n0.508858 0.145664 0.150647 O\n0.645664 0.136805 0.995017 O\n0.136805 0.641788 0.491142 O\n0.858212 0.363195 0.008858 O\n0.995017 0.645664 0.136805 O\n0.863195 0.358212 0.508858 O\n0.358212 0.349353 0.495017 O\n0.636805 0.145664 0.495017 O\n0.008858 0.858212 0.363195 O\n0.508858 0.863195 0.358212 O\n0.354336 0.863195 0.004983 O\n0.136805 0.995017 0.645664 O\n0.145664 0.495017 0.636805 O\n0.363195 0.008858 0.858212 O\n0.645664 0.008858 0.650647 O\n0.849353 0.858212 0.995017 O\n0.349353 0.495017 0.358212 O\n0.363195 0.854336 0.504983 O\n0.349353 0.354336 0.991142 O\n0.504983 0.363195 0.854336 O\n0.495017 0.636805 0.145664 O\n0.141788 0.004983 0.150647 O\n0.636805 0.991142 0.141788 O\n0.995017 0.849353 0.858212 O\n0.641788 0.491142 0.136805 O\n0.150647 0.141788 0.004983 O\n0.358212 0.508858 0.863195 O\n0.858212 0.995017 0.849353 O\n0.491142 0.854336 0.849353 O\n0.495017 0.358212 0.349353 O\n0.145664 0.150647 0.508858 O\n0.008858 0.650647 0.645664 O\n0.991142 0.141788 0.636805 O\n0.354336 0.991142 0.349353 O\n0.141788 0.636805 0.991142 O\n0.849353 0.491142 0.854336 O\n0.854336 0.849353 0.491142 O\n",
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"elements": [
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"O"
],
"chemical_system": "Hg-O-Te",
"density": 8.431834310613034,
"density_atomic": 0.06152139595342983,
"volume": 1300.360610486765,
"volume_molar": 9.788693293888539,
"formula_full": "Hg24 Te8 O48",
"formula_reduced": "Hg3TeO6",
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"energy": -346.75052857,
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"updated_at": "2021-11-28T01:37:10.903000Z",
"spacegroup": 230
}
]
}