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{
"id": "mp-13406",
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{
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"formula_full": "Cd4 I4 Cl4 O12",
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{
"id": "mp-753720",
"created_at": "2022-09-04T14:40:24.363795Z",
"structure_string": "Li6 Bi2 S6\n1.0\n6.879940 -3.565919 0.000000\n6.879940 3.565919 0.000000\n5.031700 0.000000 5.893331\nLi Bi S\n6 2 6\ndirect\n0.316326 0.911223 0.631421 Li\n0.368579 0.683674 0.088777 Li\n0.911223 0.631421 0.316326 Li\n0.088777 0.368579 0.683674 Li\n0.631421 0.316326 0.911223 Li\n0.683674 0.088777 0.368579 Li\n0.830320 0.830320 0.830320 Bi\n0.169680 0.169680 0.169680 Bi\n0.577684 0.956952 0.226581 S\n0.043048 0.773419 0.422316 S\n0.226581 0.577684 0.956952 S\n0.773419 0.422316 0.043048 S\n0.956952 0.226581 0.577684 S\n0.422316 0.043048 0.773419 S\n",
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"formula_full": "Li6 Bi2 S6",
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},
{
"id": "mp-776405",
"created_at": "2022-09-04T14:42:50.256950Z",
"structure_string": "Li12 Sb4 S14\n1.0\n7.578434 0.000000 0.000000\n0.000000 6.498628 0.000000\n0.000000 4.295769 11.932588\nLi Sb S\n12 4 14\ndirect\n0.792810 0.225530 0.145445 Li\n0.227480 0.227171 0.138455 Li\n0.517547 0.754234 0.148515 Li\n0.727480 0.772829 0.361545 Li\n0.292810 0.774470 0.354555 Li\n0.017547 0.245766 0.351485 Li\n0.982453 0.754234 0.648515 Li\n0.707190 0.225530 0.645445 Li\n0.272520 0.227171 0.638455 Li\n0.482453 0.245766 0.851485 Li\n0.772520 0.772829 0.861545 Li\n0.207190 0.774470 0.854555 Li\n0.002730 0.751634 0.127892 Sb\n0.502730 0.248366 0.372108 Sb\n0.497270 0.751634 0.627892 Sb\n0.997270 0.248366 0.872108 Sb\n0.000000 0.500000 0.000000 S\n0.759999 0.991427 0.004724 S\n0.012059 0.954501 0.262056 S\n0.512059 0.045499 0.237944 S\n0.267093 0.504299 0.242330 S\n0.767093 0.495701 0.257670 S\n0.259999 0.008573 0.495276 S\n0.740001 0.991427 0.504724 S\n0.500000 0.500000 0.500000 S\n0.232907 0.504299 0.742330 S\n0.732907 0.495701 0.757670 S\n0.487941 0.954501 0.762056 S\n0.987941 0.045499 0.737944 S\n0.240001 0.008573 0.995276 S\n",
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"density": 2.8799875664612924,
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"volume": 587.6730785331549,
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"formula_full": "Li12 Sb4 S14",
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"energy": -129.89325398,
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"updated_at": "2021-11-28T01:36:10.980000Z",
"spacegroup": 14
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{
"id": "mp-29836",
"created_at": "2022-09-04T14:42:54.891547Z",
"structure_string": "Na6 Ho2 Cl12\n1.0\n7.314033 0.000000 0.000000\n0.000000 6.917555 0.000000\n0.000000 6.781065 10.269531\nNa Ho Cl\n6 2 12\ndirect\n0.576345 0.284408 0.239996 Na\n0.076345 0.715592 0.260004 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.423655 0.715592 0.760004 Na\n0.923655 0.284408 0.739996 Na\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.935170 0.099697 0.262251 Cl\n0.304038 0.246678 0.421419 Cl\n0.804038 0.753322 0.078581 Cl\n0.695962 0.753322 0.578581 Cl\n0.321676 0.622547 0.064150 Cl\n0.821676 0.377453 0.435850 Cl\n0.678324 0.377453 0.935850 Cl\n0.178324 0.622547 0.564150 Cl\n0.064830 0.900303 0.737749 Cl\n0.564830 0.099697 0.762251 Cl\n0.195962 0.246678 0.921419 Cl\n0.435170 0.900303 0.237749 Cl\n",
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"density": 2.8546627440293935,
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"volume": 519.5892372306824,
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"formula_full": "Na6 Ho2 Cl12",
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{
"id": "mp-1346482",
"created_at": "2022-09-04T14:41:00.623451Z",
"structure_string": "P4 H24 N14 Cl2\n1.0\n5.926054 0.000000 0.000000\n-0.153054 7.473199 0.000000\n-2.569683 -3.785467 10.053576\nP H N Cl\n4 24 14 2\ndirect\n0.232749 0.738753 0.569928 P\n0.400731 0.847194 0.806297 P\n0.599269 0.152806 0.193703 P\n0.767251 0.261247 0.430072 P\n0.214790 0.689706 0.968774 H\n0.187633 0.576754 0.855978 H\n0.182524 0.090129 0.827306 H\n0.154041 0.165392 0.497271 H\n0.097172 0.379739 0.367426 H\n0.250954 0.419623 0.599272 H\n0.195163 0.796488 0.345978 H\n0.475273 0.128481 0.845643 H\n0.213319 0.245165 0.171494 H\n0.384835 0.941754 0.405082 H\n0.508436 0.480353 0.685750 H\n0.235974 0.192687 0.036167 H\n0.764026 0.807313 0.963833 H\n0.491564 0.519647 0.314250 H\n0.615165 0.058246 0.594918 H\n0.786681 0.754835 0.828506 H\n0.524727 0.871519 0.154357 H\n0.804837 0.203512 0.654022 H\n0.749046 0.580377 0.400728 H\n0.902828 0.620261 0.632574 H\n0.845959 0.834608 0.502729 H\n0.817476 0.909871 0.172694 H\n0.812367 0.423246 0.144022 H\n0.785210 0.310294 0.031226 H\n0.216878 0.701990 0.873713 N\n0.050932 0.289664 0.449643 N\n0.347362 0.036529 0.840503 N\n0.334055 0.514539 0.640408 N\n0.246474 0.858731 0.417365 N\n0.366869 0.863608 0.654108 N\n0.317771 0.195294 0.127959 N\n0.682229 0.804706 0.872041 N\n0.633131 0.136392 0.345892 N\n0.753526 0.141269 0.582635 N\n0.665945 0.485461 0.359592 N\n0.652638 0.963471 0.159497 N\n0.949068 0.710336 0.550357 N\n0.783122 0.298010 0.126287 N\n0.129072 0.663282 0.177424 Cl\n0.870928 0.336718 0.822576 Cl\n",
"nsites": 44,
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{
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"structure_string": "Na6 Dy2 Cl12\n1.0\n7.345798 0.000000 0.000000\n0.000000 6.855670 0.000000\n0.000000 6.666005 10.346287\nNa Dy Cl\n6 2 12\ndirect\n0.904906 0.705246 0.755544 Na\n0.404906 0.294754 0.744456 Na\n0.095094 0.294754 0.244456 Na\n0.595094 0.705246 0.255544 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.558060 0.907298 0.737149 Cl\n0.058060 0.092702 0.762851 Cl\n0.941940 0.907298 0.237149 Cl\n0.441940 0.092702 0.262851 Cl\n0.177098 0.387188 0.928059 Cl\n0.677098 0.612812 0.571941 Cl\n0.822902 0.612812 0.071941 Cl\n0.322902 0.387188 0.428059 Cl\n0.306965 0.756246 0.077019 Cl\n0.806965 0.243754 0.422981 Cl\n0.693035 0.243754 0.922981 Cl\n0.193035 0.756246 0.577019 Cl\n",
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"elements": [
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],
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"density_atomic": 0.048187013076948865,
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"formula_full": "N4 O8",
"formula_reduced": "NO2",
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"energy_uncorrected": -50.66656876,
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"updated_at": "2021-11-28T01:37:05.582000Z",
"spacegroup": 14
},
{
"id": "mp-673705",
"created_at": "2022-09-04T14:45:09.567942Z",
"structure_string": "Sn4 P4 Se12\n1.0\n7.729164 0.000000 0.000000\n0.000000 7.764427 0.000000\n0.000000 4.595587 10.069724\nSn P Se\n4 4 12\ndirect\n0.879253 0.770687 0.249917 Sn\n0.379253 0.229313 0.250083 Sn\n0.620747 0.770687 0.749917 Sn\n0.120747 0.229313 0.750083 Sn\n0.631531 0.976713 0.052227 P\n0.131531 0.023287 0.447773 P\n0.868469 0.976713 0.552227 P\n0.368469 0.023287 0.947773 P\n0.329338 0.547502 0.665227 Se\n0.187353 0.091496 0.078518 Se\n0.214892 0.734065 0.451656 Se\n0.714892 0.265935 0.048344 Se\n0.687353 0.908504 0.421482 Se\n0.829338 0.452498 0.834773 Se\n0.170662 0.547502 0.165227 Se\n0.312647 0.091496 0.578518 Se\n0.285108 0.734065 0.951656 Se\n0.785108 0.265935 0.548344 Se\n0.812647 0.908504 0.921482 Se\n0.670662 0.452498 0.334773 Se\n",
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"formula_full": "Sn4 P4 Se12",
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"updated_at": "2021-11-28T01:36:47.641000Z",
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}
]
}