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{
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0.653814 0.377242 Li\n0.863933 0.079005 0.463306 Li\n0.636067 0.579005 0.463306 Li\n0.104113 0.438339 0.479589 Li\n0.395888 0.938339 0.479589 Li\n0.604112 0.061661 0.520411 Li\n0.895888 0.561661 0.520411 Li\n0.363933 0.420995 0.536694 Li\n0.136068 0.920995 0.536694 Li\n0.098605 0.346187 0.622758 Li\n0.401395 0.846187 0.622758 Li\n0.862368 0.297344 0.622926 Li\n0.637632 0.797344 0.622926 Li\n0.043325 0.120443 0.624180 Li\n0.456675 0.620443 0.624180 Li\n0.792171 0.028077 0.624514 Li\n0.707828 0.528077 0.624514 Li\n0.309140 0.105102 0.716562 Li\n0.190860 0.605102 0.716562 Li\n0.670666 0.338359 0.728616 Li\n0.829334 0.838359 0.728616 Li\n0.170666 0.338359 0.771384 Li\n0.329334 0.838359 0.771384 Li\n0.809139 0.105102 0.783438 Li\n0.690860 0.605102 0.783438 Li\n0.292172 0.028077 0.875486 Li\n0.207828 0.528077 0.875486 Li\n0.543324 0.120443 0.875820 Li\n0.956675 0.620443 0.875820 Li\n0.362367 0.297344 0.877074 Li\n0.137633 0.797344 0.877074 Li\n0.598605 0.346187 0.877242 Li\n0.901395 0.846187 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{
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{
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{
"id": "oqmd-671454",
"created_at": "2022-09-04T15:33:40.679539Z",
"updated_at": "2022-09-04T15:33:40.679565Z",
"structure_string": "Mg54 Ag17\n1.0\n7.091572 7.056167 7.308387\n-7.091572 7.056167 -7.308387\n-7.091572 -7.056167 7.308387\nAg Mg\n17 54\ndirect\n0.500000 0.500000 0.000000 Ag\n0.290133 0.832509 0.122642 Ag\n0.168506 0.000000 0.168506 Ag\n0.167856 0.375585 0.207729 Ag\n0.832144 0.039873 0.207729 Ag\n0.034126 0.700869 0.333256 Ag\n0.632387 0.299131 0.333257 Ag\n0.290133 0.167491 0.457624 Ag\n0.310482 0.810481 0.500000 Ag\n0.689519 0.189519 0.500000 Ag\n0.709867 0.832509 0.542376 Ag\n0.965873 0.299131 0.666743 Ag\n0.367612 0.700869 0.666743 Ag\n0.167856 0.960127 0.792271 Ag\n0.832144 0.624415 0.792271 Ag\n0.831494 0.000000 0.831494 Ag\n0.709867 0.167491 0.877358 Ag\n0.114487 0.114487 0.000000 Mg\n0.885513 0.885513 0.000000 Mg\n0.371867 0.079215 0.065486 Mg\n0.986271 0.693619 0.065486 Mg\n0.396555 0.678990 0.075544 Mg\n0.901583 0.183480 0.085062 Mg\n0.667566 0.199971 0.104631 Mg\n0.904660 0.437065 0.104631 Mg\n0.325031 0.433462 0.108431 Mg\n0.674968 0.783399 0.108431 Mg\n0.557371 0.388990 0.168381 Mg\n0.779391 0.611010 0.168381 Mg\n0.202720 0.621158 0.201408 Mg\n0.580251 0.998689 0.201408 Mg\n0.098417 0.183480 0.281897 Mg\n0.603446 0.678990 0.282435 Mg\n0.371867 0.306381 0.292652 Mg\n0.986271 0.920784 0.292652 Mg\n0.437826 0.102229 0.335597 Mg\n0.233369 0.897771 0.335598 Mg\n0.854169 0.500000 0.354168 Mg\n0.500000 0.883991 0.383990 Mg\n0.125372 0.518858 0.393486 Mg\n0.874629 0.268115 0.393486 Mg\n0.419750 0.621158 0.418439 Mg\n0.797281 0.998689 0.418439 Mg\n0.667566 0.562935 0.467595 Mg\n0.904660 0.800029 0.467595 Mg\n0.095339 0.199971 0.532405 Mg\n0.332434 0.437066 0.532405 Mg\n0.202720 0.001311 0.581561 Mg\n0.580251 0.378842 0.581561 Mg\n0.125372 0.731886 0.606514 Mg\n0.874629 0.481142 0.606514 Mg\n0.500000 0.116010 0.616010 Mg\n0.145832 0.500000 0.645832 Mg\n0.562173 0.897771 0.664402 Mg\n0.766631 0.102229 0.664402 Mg\n0.013729 0.079215 0.707348 Mg\n0.628133 0.693619 0.707348 Mg\n0.396555 0.321010 0.717565 Mg\n0.901583 0.816520 0.718103 Mg\n0.419750 0.001311 0.798592 Mg\n0.797281 0.378842 0.798592 Mg\n0.220608 0.388989 0.831619 Mg\n0.442630 0.611011 0.831619 Mg\n0.325031 0.216601 0.891570 Mg\n0.674969 0.566539 0.891570 Mg\n0.095339 0.562935 0.895369 Mg\n0.332434 0.800030 0.895369 Mg\n0.098417 0.816520 0.914937 Mg\n0.603445 0.321010 0.924455 Mg\n0.013729 0.306380 0.934514 Mg\n0.628133 0.920785 0.934514 Mg\n",
"nsites": 71,
"nelements": 2,
"elements": [
"Ag",
"Mg"
],
"chemical_system": "Ag-Mg",
"density": 3.571466553349821,
"density_atomic": 0.04853616446737643,
"volume": 1462.8267556601559,
"volume_molar": 12.407533281802234,
"formula_full": "Mg54 Ag17",
"formula_reduced": "Mg54Ag17",
"formula_anonymous": "A17B54",
"formation_energy": -0.143832196654932,
"spacegroup": 71
}
]
}