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{
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{
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{
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"elements": [
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],
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"formula_full": "Ce2 B4 C4",
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"spacegroup": 127
},
{
"id": "mp-753986",
"created_at": "2022-09-04T14:43:33.920801Z",
"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.572019 0.000000 0.000000\n-2.206391 -6.641050 0.000000\n-0.060451 0.015457 -8.404293\nLi Mn O F\n12 2 4 8\ndirect\n0.972861 0.015333 0.344584 Li\n0.584317 0.176607 0.144660 Li\n0.331022 0.321580 0.317567 Li\n0.697469 0.171313 0.783169 Li\n0.607731 0.671505 0.322968 Li\n0.987997 0.512939 0.845238 Li\n0.012003 0.487061 0.154762 Li\n0.392269 0.328495 0.677032 Li\n0.302531 0.828687 0.216831 Li\n0.668978 0.678420 0.682433 Li\n0.415683 0.823393 0.855340 Li\n0.027139 0.984667 0.655416 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.229241 0.080579 0.188697 O\n0.750737 0.428422 0.676322 O\n0.249263 0.571578 0.323678 O\n0.770759 0.919421 0.811303 O\n0.694268 0.426556 0.273617 F\n0.859300 0.290353 0.993576 F\n0.863445 0.792756 0.485833 F\n0.672254 0.932698 0.210701 F\n0.327746 0.067302 0.789299 F\n0.136555 0.207244 0.514167 F\n0.140700 0.709647 0.006424 F\n0.305732 0.573444 0.726383 F\n",
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"formula_full": "Li12 Mn2 O4 F8",
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},
{
"id": "mp-768599",
"created_at": "2022-09-04T14:43:33.537370Z",
"structure_string": "Li2 Cu2 C2 S2 O14\n1.0\n6.207335 0.000000 0.000000\n0.000000 5.162770 0.000000\n0.000000 0.530002 8.901014\nLi Cu C S O\n2 2 2 2 14\ndirect\n0.501623 0.767751 0.787956 Li\n0.001623 0.232249 0.212044 Li\n0.245870 0.226318 0.650139 Cu\n0.745870 0.773682 0.349861 Cu\n0.256435 0.273725 0.928633 C\n0.756435 0.726275 0.071367 C\n0.748652 0.278464 0.574048 S\n0.248652 0.721536 0.425952 S\n0.728684 0.702203 0.933693 O\n0.262123 0.050295 0.867994 O\n0.275997 0.473271 0.831637 O\n0.934078 0.208282 0.673935 O\n0.559938 0.171930 0.662821 O\n0.262432 0.835869 0.573417 O\n0.726319 0.566996 0.551739 O\n0.226319 0.433004 0.448261 O\n0.762432 0.164131 0.426583 O\n0.059938 0.828070 0.337179 O\n0.434078 0.791718 0.326065 O\n0.775997 0.526729 0.168363 O\n0.762123 0.949705 0.132006 O\n0.228684 0.297797 0.066307 O\n",
"nsites": 22,
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"elements": [
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"C",
"S",
"O"
],
"chemical_system": "C-Cu-Li-O-S",
"density": 2.6377401361956387,
"density_atomic": 0.07712501024396475,
"volume": 285.2511776712738,
"volume_molar": 7.80828519950991,
"formula_full": "Li2 Cu2 C2 S2 O14",
"formula_reduced": "LiCuCSO7",
"formula_anonymous": "ABCDE7",
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}
]
}