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{
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{
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"structure_string": "Ni36 S32\n1.0\n9.546099 0.000000 0.000000\n0.000000 9.546099 0.000000\n-4.773049 -4.773049 11.077671\nNi S\n36 32\ndirect\n0.484037 0.748806 0.502729 Ni\n0.765963 0.996076 0.997271 Ni\n0.018692 0.753924 0.502729 Ni\n0.231308 0.001194 0.997271 Ni\n0.251194 0.981308 0.497271 Ni\n0.998806 0.234037 0.002729 Ni\n0.246076 0.515963 0.497271 Ni\n0.003924 0.768692 0.002729 Ni\n0.753369 0.753369 0.506738 Ni\n0.496631 0.996631 0.993262 Ni\n0.246631 0.246631 0.493262 Ni\n0.003369 0.503369 0.006738 Ni\n0.416251 0.375000 0.250000 Ni\n0.833749 0.875000 0.250000 Ni\n0.625000 0.166251 0.750000 Ni\n0.125000 0.583749 0.750000 Ni\n0.884221 0.384221 0.768442 Ni\n0.365779 0.365779 0.731558 Ni\n0.615779 0.115779 0.231558 Ni\n0.634221 0.634221 0.268442 Ni\n0.236032 0.743098 0.678398 Ni\n0.013968 0.814700 0.821602 Ni\n0.442367 0.935300 0.678398 Ni\n0.807633 0.006902 0.821602 Ni\n0.256902 0.557633 0.321602 Ni\n0.993098 0.986032 0.178398 Ni\n0.064700 0.763968 0.321602 Ni\n0.185300 0.192367 0.178398 Ni\n0.594059 0.329190 0.422665 Ni\n0.655941 0.656525 0.077335 Ni\n0.828606 0.093475 0.422665 Ni\n0.421394 0.420810 0.077335 Ni\n0.670810 0.171394 0.577335 Ni\n0.579190 0.344059 0.922665 Ni\n0.906525 0.405941 0.577335 Ni\n0.343475 0.578606 0.922665 Ni\n0.574767 0.562630 0.399817 S\n0.675233 0.912814 0.100183 S\n0.825050 0.837186 0.399817 S\n0.424950 0.187370 0.100183 S\n0.437370 0.174950 0.600183 S\n0.812630 0.324767 0.899817 S\n0.162814 0.425233 0.600183 S\n0.087186 0.575050 0.899817 S\n0.677103 0.947475 0.622884 S\n0.572897 0.074591 0.877116 S\n0.945782 0.675409 0.622884 S\n0.304218 0.802525 0.877116 S\n0.052525 0.054218 0.377116 S\n0.197475 0.427103 0.122884 S\n0.324591 0.322897 0.377116 S\n0.925409 0.695782 0.122884 S\n0.444234 0.690248 0.640848 S\n0.805766 0.799400 0.859152 S\n0.196614 0.950600 0.640848 S\n0.053386 0.059752 0.859152 S\n0.309752 0.803386 0.359152 S\n0.940248 0.194234 0.140848 S\n0.049400 0.555766 0.359152 S\n0.200600 0.946614 0.140848 S\n0.699161 0.428646 0.625518 S\n0.550839 0.553128 0.874482 S\n0.926357 0.196872 0.625518 S\n0.323643 0.321354 0.874482 S\n0.571354 0.073643 0.374482 S\n0.678646 0.449161 0.125518 S\n0.803128 0.300839 0.374482 S\n0.446872 0.676357 0.125518 S\n",
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"elements": [
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"volume": 1009.4860706589867,
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"formula_full": "Ni36 S32",
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"energy_uncorrected": -358.9765608,
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"updated_at": "2021-11-28T01:34:42.503000Z",
"spacegroup": 122
},
{
"id": "mp-1246094",
"created_at": "2022-09-04T14:39:33.193014Z",
"structure_string": "Co16 C4 N16\n1.0\n9.675526 0.000000 0.000000\n0.000000 2.763239 0.000000\n0.000000 0.000000 11.463259\nCo C N\n16 4 16\ndirect\n0.114155 0.250000 0.151069 Co\n0.614155 0.250000 0.348931 Co\n0.885845 0.750000 0.848931 Co\n0.385845 0.750000 0.651069 Co\n0.864106 0.250000 0.100643 Co\n0.364106 0.250000 0.399357 Co\n0.135894 0.750000 0.899357 Co\n0.635894 0.750000 0.600643 Co\n0.438793 0.250000 0.856929 Co\n0.938793 0.250000 0.643071 Co\n0.561207 0.750000 0.143071 Co\n0.061207 0.750000 0.356929 Co\n0.183380 0.250000 0.725489 Co\n0.683380 0.250000 0.774511 Co\n0.816620 0.750000 0.274511 Co\n0.316620 0.750000 0.225489 Co\n0.351456 0.250000 0.006733 C\n0.851456 0.250000 0.493267 C\n0.648544 0.750000 0.993267 C\n0.148544 0.750000 0.506733 C\n0.710308 0.250000 0.204005 N\n0.210308 0.250000 0.295995 N\n0.289692 0.750000 0.795995 N\n0.789692 0.750000 0.704005 N\n0.016753 0.250000 0.832094 N\n0.516753 0.250000 0.667906 N\n0.983247 0.750000 0.167906 N\n0.483247 0.750000 0.332094 N\n0.212015 0.250000 0.004654 N\n0.712015 0.250000 0.495346 N\n0.787985 0.750000 0.995346 N\n0.287985 0.750000 0.504654 N\n0.420466 0.250000 0.109130 N\n0.920466 0.250000 0.390870 N\n0.579534 0.750000 0.890870 N\n0.079534 0.750000 0.609130 N\n",
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"elements": [
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],
"chemical_system": "C-Co-N",
"density": 6.583445295788314,
"density_atomic": 0.11746307388474024,
"volume": 306.4792943808429,
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"formula_full": "Co16 C4 N16",
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"total_magnetization": 0.1977392,
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"updated_at": "2021-11-28T01:34:24.924000Z",
"spacegroup": 62
}
]
}