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{
"id": "mp-1187391",
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"structure_string": "Tc6 C2\n1.0\n2.668607 -4.622163 0.000000\n2.668607 4.622163 0.000000\n0.000000 0.000000 4.097025\nTc C\n6 2\ndirect\n0.174353 0.348706 0.250000 Tc\n0.651294 0.825647 0.250000 Tc\n0.174353 0.825647 0.250000 Tc\n0.825647 0.651294 0.750000 Tc\n0.348706 0.174353 0.750000 Tc\n0.825647 0.174353 0.750000 Tc\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n",
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{
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{
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"structure_string": "Ce2 O6\n1.0\n3.032442 -5.252344 0.000000\n3.032442 5.252344 0.000000\n0.000000 0.000000 3.641220\nCe O\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.913274 0.589596 0.750000 O\n0.086726 0.410404 0.250000 O\n0.676321 0.086726 0.750000 O\n0.323679 0.913274 0.250000 O\n0.410404 0.323679 0.750000 O\n0.589596 0.676321 0.250000 O\n",
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},
{
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"created_at": "2022-09-04T14:40:42.870080Z",
"structure_string": "Yb6 Ag4\n1.0\n8.209102 0.000000 0.000000\n0.000000 8.209102 0.000000\n0.000000 0.000000 4.157930\nYb Ag\n6 4\ndirect\n0.337916 0.837916 0.500000 Yb\n0.837916 0.662084 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.662084 0.162084 0.500000 Yb\n0.162084 0.337916 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.870726 0.370726 0.000000 Ag\n0.129274 0.629274 0.000000 Ag\n0.370726 0.129274 0.000000 Ag\n0.629274 0.870726 0.000000 Ag\n",
"nsites": 10,
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"volume": 280.2002235228526,
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"formula_full": "Yb6 Ag4",
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},
{
"id": "mp-280",
"created_at": "2022-09-04T14:40:52.579282Z",
"structure_string": "Pu1 C1\n1.0\n0.000000 2.494902 2.494902\n2.494902 0.000000 2.494902\n2.494902 2.494902 0.000000\nPu C\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 C\n",
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"density": 13.687267195226728,
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"energy": -23.33309838,
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},
{
"id": "mp-18388",
"created_at": "2022-09-04T14:40:33.501830Z",
"structure_string": "Ga14 Te20\n1.0\n7.406854 -7.369137 0.000000\n7.406854 7.369137 0.000000\n0.075242 0.000000 10.447966\nGa Te\n14 20\ndirect\n0.569496 0.569496 0.569496 Ga\n0.430504 0.430504 0.430504 Ga\n0.341831 0.166460 0.743756 Ga\n0.166460 0.743756 0.341831 Ga\n0.743756 0.341831 0.166460 Ga\n0.833540 0.658169 0.256244 Ga\n0.658169 0.256244 0.833540 Ga\n0.256244 0.833540 0.658169 Ga\n0.578375 0.886407 0.846871 Ga\n0.886407 0.846871 0.578375 Ga\n0.846871 0.578375 0.886407 Ga\n0.113593 0.421625 0.153129 Ga\n0.421625 0.153129 0.113593 Ga\n0.153129 0.113593 0.421625 Ga\n0.832822 0.832822 0.832822 Te\n0.167178 0.167178 0.167178 Te\n0.000000 0.823697 0.176303 Te\n0.823697 0.176303 0.000000 Te\n0.176303 0.000000 0.823697 Te\n0.500000 0.916469 0.083531 Te\n0.916469 0.083531 0.500000 Te\n0.083531 0.500000 0.916469 Te\n0.439173 0.685289 0.762589 Te\n0.685289 0.762589 0.439173 Te\n0.762589 0.439173 0.685289 Te\n0.314711 0.560827 0.237411 Te\n0.560827 0.237411 0.314711 Te\n0.237411 0.314711 0.560827 Te\n0.573691 0.074664 0.670617 Te\n0.074664 0.670617 0.573691 Te\n0.670617 0.573691 0.074664 Te\n0.925336 0.426309 0.329383 Te\n0.426309 0.329383 0.925336 Te\n0.329383 0.925336 0.426309 Te\n",
"nsites": 34,
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"elements": [
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],
"chemical_system": "Ga-Te",
"density": 5.136656574631533,
"density_atomic": 0.02981032809870574,
"volume": 1140.5443069067114,
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"formula_full": "Ga14 Te20",
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"spacegroup": 155
},
{
"id": "mp-610522",
"created_at": "2022-09-04T14:40:53.718990Z",
"structure_string": "Mn4 As2\n1.0\n3.615015 0.000000 0.000000\n0.000000 3.615015 0.000000\n0.000000 0.000000 6.334917\nMn As\n4 2\ndirect\n0.500000 0.000000 0.352818 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.647182 Mn\n0.500000 0.000000 0.738326 As\n0.000000 0.500000 0.261674 As\n",
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{
"id": "mp-680395",
"created_at": "2022-09-04T14:40:43.476187Z",
"structure_string": "Li48 As112\n1.0\n12.660346 0.000000 0.000000\n0.000000 12.745591 0.000000\n0.000000 0.000000 22.882369\nLi As\n48 112\ndirect\n0.779811 0.542786 0.805752 Li\n0.013139 0.246677 0.851265 Li\n0.119346 0.419216 0.481543 Li\n0.220189 0.957214 0.305752 Li\n0.816931 0.004408 0.315204 Li\n0.316931 0.495592 0.315204 Li\n0.279811 0.957214 0.805752 Li\n0.183069 0.995592 0.684797 Li\n0.486861 0.246677 0.351265 Li\n0.683069 0.504408 0.684797 Li\n0.986861 0.253323 0.351265 Li\n0.799488 0.334949 0.848274 Li\n0.799488 0.834949 0.651726 Li\n0.880654 0.080784 0.981543 Li\n0.163233 0.746234 0.925717 Li\n0.816931 0.504408 0.184796 Li\n0.200512 0.665051 0.151726 Li\n0.663233 0.253766 0.574283 Li\n0.299488 0.165051 0.848274 Li\n0.299488 0.665051 0.651726 Li\n0.183069 0.495592 0.815203 Li\n0.513139 0.253323 0.851265 Li\n0.279811 0.457214 0.694248 Li\n0.683069 0.004408 0.815203 Li\n0.200512 0.165051 0.348274 Li\n0.513139 0.753323 0.648735 Li\n0.013139 0.746677 0.648735 Li\n0.316931 0.995592 0.184796 Li\n0.220189 0.457214 0.194248 Li\n0.663233 0.753766 0.925717 Li\n0.380654 0.419216 0.981543 Li\n0.779811 0.042786 0.694248 Li\n0.336767 0.246234 0.074283 Li\n0.720189 0.042786 0.194248 Li\n0.700512 0.834949 0.151726 Li\n0.380654 0.919216 0.518457 Li\n0.880654 0.580784 0.518457 Li\n0.986861 0.753323 0.148735 Li\n0.619346 0.580784 0.018457 Li\n0.163233 0.246234 0.574283 Li\n0.619346 0.080784 0.481543 Li\n0.336767 0.746234 0.425717 Li\n0.720189 0.542786 0.305752 Li\n0.700512 0.334949 0.348274 Li\n0.119346 0.919216 0.018457 Li\n0.836767 0.753766 0.425717 Li\n0.486861 0.746677 0.148735 Li\n0.836767 0.253766 0.074283 Li\n0.155377 0.852006 0.210326 As\n0.025693 0.387280 0.131417 As\n0.525693 0.612720 0.368583 As\n0.640667 0.371142 0.776426 As\n0.885872 0.244014 0.699916 As\n0.908993 0.843881 0.962127 As\n0.987080 0.014002 0.789010 As\n0.974307 0.112720 0.631417 As\n0.348753 0.531828 0.510727 As\n0.084376 0.235461 0.693563 As\n0.584376 0.264539 0.693563 As\n0.859333 0.871142 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{
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"structure_string": "Re4 O12\n1.0\n-3.792540 3.792540 3.792540\n3.792540 -3.792540 3.792540\n3.792540 3.792540 -3.792540\nRe O\n4 12\ndirect\n0.000000 0.000000 0.500000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.741616 0.758651 0.500266 O\n0.741616 0.241349 0.982965 O\n0.258384 0.758651 0.017035 O\n0.241349 0.499734 0.258384 O\n0.258384 0.241349 0.499734 O\n0.758651 0.017035 0.258384 O\n0.982965 0.741616 0.241349 O\n0.758651 0.500266 0.741616 O\n0.017035 0.258384 0.758651 O\n0.241349 0.982965 0.741616 O\n0.500266 0.741616 0.758651 O\n0.499734 0.258384 0.241349 O\n",
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{
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{
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{
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}