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"structure_string": "K1 Ni1 Au3 C6 N6\n1.0\n6.687179 0.000000 -0.000000\n-3.343590 5.791267 0.000000\n-0.000000 0.000000 7.793180\nK Ni Au C N\n1 1 3 6 6\ndirect\n0.666667 0.333333 0.500000 K\n0.000000 0.000000 0.500000 Ni\n0.496620 0.503380 0.000000 Au\n0.006760 0.503380 0.000000 Au\n0.496620 0.993240 0.000000 Au\n0.338042 0.992753 0.784553 C\n0.007248 0.345289 0.784553 C\n0.007248 0.661959 0.215447 C\n0.338042 0.345289 0.215447 C\n0.654711 0.661959 0.784553 C\n0.654711 0.992753 0.215447 C\n0.242224 0.245918 0.339898 N\n0.754082 0.757777 0.660102 N\n0.242224 0.996307 0.660102 N\n0.754083 0.996307 0.339898 N\n0.003694 0.757777 0.339898 N\n0.003694 0.245918 0.660102 N\n",
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"elements": [
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],
"chemical_system": "Au-C-K-N-Ni",
"density": 4.648037287005574,
"density_atomic": 0.05632713702208714,
"volume": 301.8083449427568,
"volume_molar": 10.691366681105384,
"formula_full": "K1 Ni1 Au3 C6 N6",
"formula_reduced": "KNiAu3(CN)6",
"formula_anonymous": "ABC3D6E6",
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},
{
"id": "jvasp-63577",
"created_at": "2022-09-04T14:36:01.442184Z",
"updated_at": "2022-09-04T14:36:01.442209Z",
"structure_string": "K1 Ni1 Au3 C6 N6\n1.0\n3.344242 -5.792398 -0.000000\n3.344242 5.792398 -0.000000\n0.000000 0.000000 7.791956\nK Ni Au C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.500000 K\n0.000000 0.000000 0.500000 Ni\n0.503412 0.006825 0.000000 Au\n0.503412 0.496588 0.000000 Au\n0.993174 0.496587 0.000000 Au\n0.661945 0.654679 0.215472 C\n0.992734 0.338054 0.215472 C\n0.345321 0.007266 0.215472 C\n0.345321 0.338055 0.784528 C\n0.661945 0.007266 0.784528 C\n0.992734 0.654679 0.784528 C\n-0.003674 0.242228 0.339913 N\n0.757772 0.003673 0.660088 N\n0.245902 0.242228 0.660088 N\n-0.003674 0.754098 0.660088 N\n0.245902 0.003674 0.339913 N\n0.757771 0.754098 0.339913 N\n",
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]
}