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{
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{
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{
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{
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{
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{
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"structure_string": "La24 S16 N12 Cl4\n1.0\n4.118466 0.000000 0.000000\n0.000000 11.915342 0.000000\n0.000000 0.000000 27.231356\nLa S N Cl\n24 16 12 4\ndirect\n0.250000 0.732777 0.564989 La\n0.750000 0.558102 0.926046 La\n0.250000 0.409129 0.540405 La\n0.250000 0.737875 0.830010 La\n0.250000 0.884643 0.205801 La\n0.250000 0.945260 0.689774 La\n0.250000 0.441898 0.073954 La\n0.750000 0.115357 0.794199 La\n0.750000 0.054740 0.310226 La\n0.750000 0.058102 0.573954 La\n0.750000 0.262125 0.169990 La\n0.750000 0.590871 0.459595 La\n0.750000 0.615357 0.705801 La\n0.250000 0.941898 0.426046 La\n0.750000 0.762125 0.330010 La\n0.250000 0.237875 0.669990 La\n0.250000 0.384643 0.294199 La\n0.250000 0.232777 0.935011 La\n0.750000 0.090871 0.040405 La\n0.750000 0.767223 0.064989 La\n0.250000 0.909129 0.959595 La\n0.750000 0.267223 0.435011 La\n0.250000 0.445260 0.810226 La\n0.750000 0.554740 0.189774 La\n0.250000 0.713744 0.395862 S\n0.250000 0.544565 0.636071 S\n0.250000 0.147306 0.494647 S\n0.750000 0.319193 0.861147 S\n0.250000 0.680807 0.138853 S\n0.750000 0.786256 0.895862 S\n0.750000 0.819193 0.638853 S\n0.250000 0.213744 0.104138 S\n0.250000 0.180807 0.361147 S\n0.250000 0.647306 0.005353 S\n0.750000 0.455435 0.363929 S\n0.250000 0.044565 0.863929 S\n0.750000 0.852694 0.505353 S\n0.750000 0.352694 0.994647 S\n0.750000 0.955435 0.136071 S\n0.750000 0.286256 0.604138 S\n0.750000 0.403470 0.489374 N\n0.750000 0.936079 0.375221 N\n0.250000 0.610817 0.761235 N\n0.250000 0.063921 0.624779 N\n0.250000 0.110817 0.738765 N\n0.750000 0.903470 0.010626 N\n0.750000 0.436079 0.124779 N\n0.250000 0.596530 0.510626 N\n0.250000 0.096530 0.989374 N\n0.250000 0.563921 0.875221 N\n0.750000 0.389183 0.238765 N\n0.750000 0.889183 0.261235 N\n0.250000 0.635686 0.265442 Cl\n0.750000 0.864314 0.765442 Cl\n0.250000 0.135686 0.234558 Cl\n0.750000 0.364314 0.734558 Cl\n",
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{
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{
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{
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],
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"formula_full": "Ge2 Sb2 Te5",
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{
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"structure_string": "Li4 Fe3 Co7 O20\n1.0\n20.047671 0.000000 0.251300\n0.000000 2.984049 0.000000\n0.759879 0.000000 6.143316\nLi Fe Co O\n4 3 7 20\ndirect\n0.100000 0.500000 0.200000 Li\n0.397185 0.000000 0.795704 Li\n0.600000 0.000000 0.200000 Li\n0.802815 0.000000 0.604296 Li\n0.397210 0.000000 0.300566 Fe\n0.600000 0.000000 0.700000 Fe\n0.802790 0.000000 0.099434 Fe\n0.998235 0.000000 0.521541 Co\n0.100000 0.500000 0.700000 Co\n0.201765 0.000000 0.878459 Co\n0.292487 0.500000 0.116516 Co\n0.499352 0.500000 0.498425 Co\n0.700648 0.500000 0.901575 Co\n0.907513 0.500000 0.283484 Co\n0.007743 0.500000 0.720083 O\n0.090314 0.000000 0.481403 O\n0.109686 0.000000 0.918597 O\n0.201171 0.500000 0.099849 O\n0.192257 0.500000 0.679917 O\n0.297975 0.000000 0.306188 O\n0.291917 0.000000 0.882507 O\n0.388918 0.500000 0.072077 O\n0.405273 0.500000 0.520341 O\n0.499171 0.000000 0.299441 O\n0.498642 0.000000 0.697673 O\n0.593314 0.500000 0.477025 O\n0.606686 0.500000 0.922975 O\n0.700829 0.000000 0.100559 O\n0.701358 0.000000 0.702327 O\n0.811082 0.500000 0.327923 O\n0.794727 0.500000 0.879659 O\n0.902025 0.000000 0.093812 O\n0.908083 0.000000 0.517493 O\n0.998829 0.500000 0.300151 O\n",
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],
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"density_atomic": 0.09265739342157836,
"volume": 366.9431951890195,
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"formula_full": "Li4 Fe3 Co7 O20",
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"updated_at": "2021-11-28T01:39:15.124000Z",
"spacegroup": 10
},
{
"id": "mp-23955",
"created_at": "2022-09-04T14:48:25.814186Z",
"structure_string": "Cu2 H4 Se2 O10\n1.0\n5.181700 0.000000 0.000000\n-0.862418 5.620297 0.000000\n-2.186380 -1.875546 7.101687\nCu H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.906266 0.466149 0.758063 H\n0.093734 0.533851 0.241937 H\n0.027072 0.670772 0.664256 H\n0.972928 0.329228 0.335744 H\n0.572808 0.877908 0.231562 Se\n0.427192 0.122092 0.768438 Se\n0.678714 0.822794 0.041154 O\n0.321286 0.177206 0.958846 O\n0.221169 0.813619 0.155491 O\n0.778831 0.186381 0.844509 O\n0.703229 0.161450 0.369861 O\n0.296771 0.838550 0.630139 O\n0.668655 0.665832 0.346686 O\n0.331345 0.334168 0.653314 O\n0.132787 0.393641 0.295773 O\n0.867213 0.606359 0.704227 O\n",
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"elements": [
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],
"chemical_system": "Cu-H-O-Se",
"density": 3.6052791868137564,
"density_atomic": 0.08703209669776735,
"volume": 206.8202500338218,
"volume_molar": 6.919448098455942,
"formula_full": "Cu2 H4 Se2 O10",
"formula_reduced": "CuH2SeO5",
"formula_anonymous": "ABC2D5",
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"updated_at": "2021-11-28T01:39:42.009000Z",
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}
]
}