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{
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{
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{
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"structure_string": "Sm6 Ga2 Co2 S14\n1.0\n9.654666 0.000000 0.000000\n-4.827334 8.361186 0.000000\n0.000000 -0.000000 6.212976\nSm Ga Co S\n6 2 2 14\ndirect\n0.163733 0.374761 0.826259 Sm\n0.211029 0.836268 0.826259 Sm\n0.625240 0.788972 0.826259 Sm\n0.836268 0.625240 0.326258 Sm\n0.788972 0.163732 0.326258 Sm\n0.374761 0.211028 0.326258 Sm\n0.666667 0.333334 0.901426 Ga\n0.333334 0.666667 0.401426 Ga\n0.000000 0.000000 0.490228 Co\n0.000000 0.000000 -0.009773 Co\n0.123775 0.900852 0.235067 S\n0.900852 0.777078 0.735067 S\n0.222923 0.123774 0.735067 S\n0.876226 0.099149 0.735067 S\n0.333334 0.666667 0.038349 S\n0.666667 0.333334 0.538349 S\n0.083706 0.558708 0.548996 S\n0.916295 0.441293 0.048996 S\n0.558708 0.475002 0.048996 S\n0.475003 0.916295 0.548996 S\n0.777078 0.876226 0.235067 S\n0.441293 0.524998 0.548996 S\n0.524998 0.083705 0.048996 S\n0.099149 0.222923 0.235067 S\n",
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{
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"structure_string": "Sr2 La2 Al6 O14\n1.0\n7.925481 -0.014855 0.000000\n-0.038241 7.925403 0.000000\n-0.000000 -0.000000 5.245732\nSr La Al O\n2 2 6 14\ndirect\n0.661025 0.661025 0.491524 Sr\n0.338975 0.338975 0.491524 Sr\n0.836354 0.163646 0.507964 La\n0.163646 0.836354 0.507964 La\n0.856912 0.856912 0.037804 Al\n0.643296 0.356704 0.962447 Al\n0.143088 0.143088 0.037804 Al\n0.356704 0.643296 0.962447 Al\n0.500000 0.000000 0.000116 Al\n0.000000 0.500000 0.000116 Al\n0.350387 0.649613 0.294148 O\n0.133241 0.133241 0.704731 O\n0.649613 0.350387 0.294148 O\n0.866759 0.866760 0.704731 O\n0.917875 0.665910 0.188086 O\n0.589733 0.162392 0.807768 O\n0.837609 0.410268 0.807768 O\n0.410267 0.837609 0.807768 O\n0.162391 0.589733 0.807768 O\n0.334090 0.082125 0.188086 O\n0.500000 0.500000 0.836311 O\n0.665910 0.917875 0.188086 O\n0.082125 0.334090 0.188086 O\n0.000000 0.000000 0.182799 O\n",
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{
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"structure_string": "La6 Ga2 Cu2 Se14\n1.0\n10.698348 0.000000 0.000000\n-5.349175 9.265041 0.000000\n0.000000 -0.000000 6.204147\nLa Ga Cu Se\n6 2 2 14\ndirect\n0.139869 0.774758 0.082620 La\n0.225242 0.365111 0.082620 La\n0.634889 0.860131 0.082620 La\n0.860131 0.225242 0.582620 La\n0.774758 0.634889 0.582620 La\n0.365111 0.139869 0.582620 La\n0.333333 0.666667 0.495281 Ga\n0.666667 0.333333 0.995282 Ga\n0.000000 0.000000 0.108053 Cu\n0.000000 0.000000 0.608054 Cu\n0.572802 0.090109 0.848563 Se\n0.482692 0.572802 0.348563 Se\n0.090108 0.517308 0.348563 Se\n0.427198 0.909891 0.348563 Se\n0.666667 0.333333 0.380966 Se\n0.333333 0.666667 0.880966 Se\n0.901832 0.157013 0.096470 Se\n0.098168 0.842987 0.596471 Se\n0.744818 0.901832 0.596471 Se\n0.842987 0.744819 0.096470 Se\n0.909891 0.482692 0.848563 Se\n0.255181 0.098168 0.096470 Se\n0.157013 0.255181 0.596471 Se\n0.517308 0.427198 0.848563 Se\n",
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],
"chemical_system": "Cu-Dy-Ge-Se",
"density": 6.98184620689148,
"density_atomic": 0.04288892845201673,
"volume": 559.5849760352655,
"volume_molar": 14.041247886939983,
"formula_full": "Dy6 Cu2 Ge2 Se14",
"formula_reduced": "Dy3CuGeSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.3482974555555556,
"spacegroup": 173
},
{
"id": "jvasp-119142",
"created_at": "2022-09-04T14:38:35.432877Z",
"updated_at": "2022-09-04T14:38:35.432902Z",
"structure_string": "Sr2 La2 Ga6 O14\n1.0\n8.089927 0.014992 0.000000\n-0.001758 8.089940 0.000000\n-0.000000 -0.000000 5.363498\nSr La Ga O\n2 2 6 14\ndirect\n0.161691 0.838309 0.491631 Sr\n0.838309 0.161691 0.491631 Sr\n0.663457 0.663457 0.506860 La\n0.336543 0.336543 0.506860 La\n0.500000 -0.000000 0.000665 Ga\n-0.000000 0.500000 0.000665 Ga\n0.356301 0.643699 0.032576 Ga\n0.855771 0.855770 0.966317 Ga\n0.643699 0.356301 0.032576 Ga\n0.144229 0.144229 0.966317 Ga\n0.165513 0.580606 0.206714 O\n0.659763 0.908518 0.791362 O\n0.834487 0.419394 0.206714 O\n0.340237 0.091481 0.791362 O\n0.091481 0.340237 0.791362 O\n0.580606 0.165513 0.206714 O\n0.851886 0.851886 0.304888 O\n0.419394 0.834486 0.206714 O\n0.148114 0.148114 0.304888 O\n0.631355 0.368645 0.693219 O\n0.000000 0.000000 0.815079 O\n0.368645 0.631355 0.693219 O\n0.908519 0.659763 0.791362 O\n0.500000 0.500000 0.200312 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"La",
"Ga",
"O"
],
"chemical_system": "Ga-La-O-Sr",
"density": 5.181743572618019,
"density_atomic": 0.06837117450484889,
"volume": 351.02512387435905,
"volume_molar": 8.808011276115945,
"formula_full": "Sr2 La2 Ga6 O14",
"formula_reduced": "SrLaGa3O7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.4952760654166664,
"spacegroup": 35
}
]
}