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{
"id": "mp-1105151",
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"structure_string": "Co6 Se8 Cl4 O20\n1.0\n7.164577 0.000009 -2.276086\n3.523164 -7.031574 4.801302\n-3.523173 -7.031546 -4.801258\nCo Se Cl O\n6 8 4 20\ndirect\n0.500004 0.500005 0.499999 Co\n0.999995 0.999990 0.999997 Co\n0.749748 0.121738 0.621846 Co\n0.250288 0.621854 0.121748 Co\n0.250257 0.878259 0.378165 Co\n0.749775 0.378164 0.878266 Co\n0.268698 0.227429 0.451935 Se\n0.768715 0.727391 0.951966 Se\n0.768741 0.048019 0.272609 Se\n0.268662 0.548086 0.772569 Se\n0.731305 0.772568 0.548058 Se\n0.231241 0.272605 0.048001 Se\n0.231259 0.951989 0.727395 Se\n0.731294 0.451947 0.227427 Se\n0.329092 0.873680 0.126331 Cl\n0.828879 0.373768 0.626224 Cl\n0.171119 0.626210 0.373786 Cl\n0.670901 0.126310 0.873697 Cl\n0.249989 0.139436 0.639309 O\n0.750019 0.639309 0.139435 O\n0.750017 0.860564 0.360691 O\n0.249993 0.360694 0.860561 O\n0.479954 0.273586 0.510584 O\n0.979869 0.773358 0.010471 O\n0.979898 0.989509 0.226627 O\n0.479919 0.489437 0.726412 O\n0.520052 0.726415 0.489417 O\n0.020090 0.226609 0.989495 O\n0.020107 0.010485 0.773372 O\n0.520057 0.510610 0.273604 O\n0.329706 0.081301 0.367911 O\n0.829385 0.581484 0.867649 O\n0.829379 0.132343 0.418510 O\n0.329718 0.632082 0.918714 O\n0.670298 0.918700 0.632082 O\n0.170641 0.418499 0.132336 O\n0.170628 0.867657 0.581495 O\n0.670307 0.367911 0.081306 O\n",
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{
"id": "mp-11800",
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},
{
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"created_at": "2022-09-04T14:42:20.742283Z",
"structure_string": "Co6 Se8\n1.0\n0.000000 4.926594 4.926594\n4.926594 0.000000 4.926594\n4.926594 4.926594 0.000000\nCo Se\n6 8\ndirect\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Co\n0.125000 0.125000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.882492 0.882492 0.882492 Se\n0.897476 0.367508 0.367508 Se\n0.367508 0.897476 0.367508 Se\n0.367508 0.367508 0.897476 Se\n0.882492 0.352524 0.882492 Se\n0.882492 0.882492 0.352524 Se\n0.352524 0.882492 0.882492 Se\n0.367508 0.367508 0.367508 Se\n",
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"volume": 239.14996213730396,
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"formula_full": "Co6 Se8",
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{
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"structure_string": "Co3 Se1\n1.0\n3.566622 0.000000 0.000000\n0.000000 3.566622 0.000000\n0.000000 0.000000 3.566622\nCo Se\n3 1\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Se\n",
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"formula_full": "Co3 Se1",
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{
"id": "mp-754002",
"created_at": "2022-09-04T14:45:00.550686Z",
"structure_string": "Co3 Sb1 P4 O16\n1.0\n5.983974 0.000000 0.000000\n0.000000 4.904203 0.000000\n0.000000 0.028500 9.969335\nCo Sb P O\n3 1 4 16\ndirect\n0.000000 0.030276 0.267260 Co\n0.000000 0.453536 0.778790 Co\n0.500000 0.548482 0.234777 Co\n0.500000 0.959291 0.715772 Sb\n0.500000 0.095235 0.397325 P\n0.500000 0.387337 0.904806 P\n0.000000 0.597193 0.102402 P\n0.000000 0.926660 0.587584 P\n0.500000 0.188586 0.556468 O\n0.294619 0.237115 0.334387 O\n0.705381 0.237115 0.334387 O\n0.000000 0.228465 0.615516 O\n0.000000 0.287031 0.128561 O\n0.303115 0.232659 0.826627 O\n0.696885 0.232659 0.826627 O\n0.500000 0.346694 0.052574 O\n0.000000 0.642235 0.950226 O\n0.798441 0.745770 0.171129 O\n0.201559 0.745770 0.171129 O\n0.500000 0.699935 0.869544 O\n0.500000 0.787304 0.398629 O\n0.796988 0.773291 0.666874 O\n0.203012 0.773291 0.666874 O\n0.000000 0.844069 0.441730 O\n",
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"formula_full": "Co3 Sb1 P4 O16",
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{
"id": "mp-761540",
"created_at": "2022-09-04T14:47:15.412246Z",
"structure_string": "Co6 Sb2 O16\n1.0\n4.901072 2.850124 0.000000\n-4.901072 2.850124 0.000000\n0.000000 0.062346 9.099654\nCo Sb O\n6 2 16\ndirect\n0.829576 0.661133 0.785402 Co\n0.334053 0.167502 0.789383 Co\n0.830181 0.169027 0.784212 Co\n0.169027 0.830181 0.284212 Co\n0.661133 0.829576 0.285402 Co\n0.167502 0.334053 0.289383 Co\n0.669851 0.338348 0.507925 Sb\n0.338348 0.669851 0.007925 Sb\n0.843436 0.684653 0.401233 O\n0.512693 0.481042 0.667597 O\n0.668146 0.330197 0.888671 O\n0.996312 0.003758 0.689972 O\n0.003758 0.996312 0.189972 O\n0.318616 0.160858 0.398389 O\n0.968572 0.481897 0.665120 O\n0.514014 0.031683 0.666854 O\n0.161170 0.843473 0.897379 O\n0.843473 0.161170 0.397379 O\n0.481897 0.968572 0.165120 O\n0.031683 0.514014 0.166854 O\n0.330197 0.668146 0.388671 O\n0.684653 0.843436 0.901233 O\n0.481042 0.512693 0.167597 O\n0.160858 0.318616 0.898389 O\n",
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"formula_full": "Co6 Sb2 O16",
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{
"id": "mp-752854",
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"structure_string": "Co3 Sb1 O8\n1.0\n5.065919 -2.925030 0.000000\n5.065919 2.925030 0.000000\n3.377026 0.000000 4.776509\nCo Sb O\n3 1 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sb\n0.243060 0.719311 0.243060 O\n0.243060 0.243060 0.719311 O\n0.719311 0.243060 0.243060 O\n0.728259 0.728259 0.728259 O\n0.271741 0.271741 0.271741 O\n0.280689 0.756940 0.756940 O\n0.756940 0.756940 0.280689 O\n0.756940 0.280689 0.756940 O\n",
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{
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"structure_string": "Co6 Sb2 O16\n1.0\n2.850629 -4.937433 0.000000\n2.850629 4.937433 0.000000\n0.000000 0.000000 9.141437\nCo Sb O\n6 2 16\ndirect\n0.170175 0.340349 0.214475 Co\n0.659651 0.829825 0.214475 Co\n0.170175 0.829825 0.214475 Co\n0.829825 0.170175 0.714475 Co\n0.340349 0.170175 0.714475 Co\n0.829825 0.659651 0.714475 Co\n0.333333 0.666667 0.493478 Sb\n0.666667 0.333333 0.993478 Sb\n0.158902 0.317805 0.601037 O\n0.484874 0.515126 0.332680 O\n0.333333 0.666667 0.111490 O\n0.000000 0.000000 0.306063 O\n0.000000 0.000000 0.806063 O\n0.682195 0.841098 0.601037 O\n0.030252 0.515126 0.332680 O\n0.484874 0.969748 0.332680 O\n0.841098 0.158902 0.101037 O\n0.158902 0.841098 0.601037 O\n0.515126 0.030252 0.832680 O\n0.969748 0.484874 0.832680 O\n0.666667 0.333333 0.611490 O\n0.317805 0.158902 0.101037 O\n0.515126 0.484874 0.832680 O\n0.841098 0.682195 0.101037 O\n",
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{
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{
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{
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"updated_at": "2021-11-28T01:38:11.739000Z",
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},
{
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"elements": [
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"chemical_system": "Co-S",
"density": 5.046237977556702,
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"volume": 200.76871554066193,
"volume_molar": 8.63612475135904,
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"updated_at": "2021-11-28T01:35:41.238000Z",
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}
]
}