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{
"id": "mp-971631",
"created_at": "2022-09-04T14:41:03.597898Z",
"structure_string": "Ga1 P1\n1.0\n2.565327 0.000000 0.000000\n0.000000 2.565327 0.000000\n0.000000 0.000000 5.250388\nGa P\n1 1\ndirect\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 P\n",
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"density": 4.839357879830287,
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"volume": 34.55229212909261,
"volume_molar": 10.40393833910179,
"formula_full": "Ga1 P1",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:35:11.262000Z",
"spacegroup": 123
},
{
"id": "mp-768578",
"created_at": "2022-09-04T14:41:03.992860Z",
"structure_string": "Cd4 Co4 O12\n1.0\n-0.255546 -0.000345 5.125058\n5.054194 4.539325 0.790200\n-5.053972 4.539171 -0.790792\nCd Co O\n4 4 12\ndirect\n0.775262 0.175853 0.599237 Cd\n0.275380 0.400613 0.824079 Cd\n0.724652 0.599344 0.175897 Cd\n0.224833 0.824274 0.400814 Cd\n0.249610 0.258818 0.258693 Co\n0.250023 0.923402 0.923457 Co\n0.750178 0.741199 0.741262 Co\n0.749956 0.076590 0.076564 Co\n0.562657 0.011560 0.825866 O\n0.062755 0.174136 0.988466 O\n0.937250 0.825848 0.011561 O\n0.437296 0.988416 0.174091 O\n0.858631 0.487100 0.740590 O\n0.358713 0.259290 0.512899 O\n0.641373 0.740616 0.487059 O\n0.141407 0.512922 0.259454 O\n0.945793 0.099258 0.312725 O\n0.445695 0.687232 0.900696 O\n0.554381 0.312738 0.099307 O\n0.054156 0.900791 0.687282 O\n",
"nsites": 20,
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],
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"density": 6.1475599926029165,
"density_atomic": 0.08439196539910389,
"volume": 236.9893852503211,
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"formula_full": "Cd4 Co4 O12",
"formula_reduced": "CdCoO3",
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"updated_at": "2021-11-28T01:35:07.992000Z",
"spacegroup": 15
},
{
"id": "mp-562404",
"created_at": "2022-09-04T14:41:03.305940Z",
"structure_string": "Li4 Co6 Se8 O24\n1.0\n9.346486 0.000000 0.000000\n0.000000 7.866819 0.000000\n0.000000 3.559991 7.477151\nLi Co Se O\n4 6 8 24\ndirect\n0.639058 0.075289 0.099337 Li\n0.360942 0.924711 0.900663 Li\n0.860942 0.575289 0.099337 Li\n0.139058 0.424711 0.900663 Li\n0.993682 0.171421 0.296547 Co\n0.006318 0.828579 0.703453 Co\n0.493682 0.328579 0.703453 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.506318 0.671421 0.296547 Co\n0.827477 0.735613 0.401193 Se\n0.684006 0.874686 0.824087 Se\n0.184006 0.625314 0.175913 Se\n0.315994 0.125314 0.175913 Se\n0.672523 0.235613 0.401193 Se\n0.327477 0.764387 0.598807 Se\n0.172523 0.264387 0.598807 Se\n0.815994 0.374686 0.824087 Se\n0.152775 0.815448 0.967696 O\n0.581810 0.262763 0.211041 O\n0.918190 0.762763 0.211041 O\n0.868247 0.921467 0.835101 O\n0.896328 0.553082 0.858344 O\n0.662212 0.836721 0.321774 O\n0.368247 0.578533 0.164899 O\n0.337788 0.163279 0.678226 O\n0.081810 0.237237 0.788959 O\n0.162212 0.663279 0.678226 O\n0.396328 0.946918 0.141656 O\n0.900561 0.908708 0.455923 O\n0.103672 0.446918 0.141656 O\n0.599439 0.408708 0.455923 O\n0.631753 0.421467 0.835101 O\n0.418190 0.737237 0.788959 O\n0.347225 0.315448 0.967696 O\n0.131753 0.078533 0.164899 O\n0.847225 0.184552 0.032304 O\n0.400561 0.591292 0.544077 O\n0.603672 0.053082 0.858344 O\n0.837788 0.336721 0.321774 O\n0.652775 0.684552 0.032304 O\n0.099439 0.091292 0.544077 O\n",
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],
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"density": 4.2195950903852175,
"density_atomic": 0.0763951206901788,
"volume": 549.773331340511,
"volume_molar": 7.882886636730184,
"formula_full": "Li4 Co6 Se8 O24",
"formula_reduced": "Li2Co3(SeO3)4",
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"energy": -260.13865384,
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"updated_at": "2021-11-28T01:35:11.871000Z",
"spacegroup": 14
},
{
"id": "mp-1199776",
"created_at": "2022-09-04T14:41:03.417288Z",
"structure_string": "Sn24 H224 C72 I8 N8\n1.0\n16.570500 -0.000000 0.000000\n0.000000 16.570500 -0.000000\n0.000000 -0.000000 16.570500\nSn H C I N\n24 224 72 8 8\ndirect\n0.536409 0.283729 0.834321 Sn\n0.165679 0.036409 0.216271 Sn\n0.783729 0.665679 0.463591 Sn\n0.036409 0.216271 0.165679 Sn\n0.665679 0.463591 0.783729 Sn\n0.283729 0.834321 0.536409 Sn\n0.463591 0.783729 0.665679 Sn\n0.834321 0.536409 0.283729 Sn\n0.216271 0.165679 0.036409 Sn\n0.963591 0.716271 0.334321 Sn\n0.334321 0.963591 0.716271 Sn\n0.716271 0.334321 0.963591 Sn\n0.462665 0.711989 0.178419 Sn\n0.821581 0.962665 0.788011 Sn\n0.211989 0.321581 0.537335 Sn\n0.962665 0.788011 0.821581 Sn\n0.321581 0.537335 0.211989 Sn\n0.711989 0.178419 0.462665 Sn\n0.537335 0.211989 0.321581 Sn\n0.178419 0.462665 0.711989 Sn\n0.788011 0.821581 0.962665 Sn\n0.037335 0.288011 0.678419 Sn\n0.678419 0.037335 0.288011 Sn\n0.288011 0.678419 0.037335 Sn\n0.691314 0.308686 0.808686 H\n0.191314 0.191314 0.191314 H\n0.808686 0.691314 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