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{
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"structure_string": "Sm6 Si2 Ag2 S14\n1.0\n0.000000 10.185276 0.001013\n5.722921 0.000000 0.000000\n0.000000 -5.091724 -8.821236\nSm Si Ag S\n6 2 2 14\ndirect\n0.875111 0.249439 0.640174 Sm\n0.124890 0.749438 0.359827 Sm\n0.359825 0.249434 0.234940 Sm\n0.765060 0.249428 0.124895 Sm\n0.234941 0.749428 0.875105 Sm\n0.640176 0.749434 0.765061 Sm\n0.666670 0.661881 0.333337 Si\n0.333331 0.161881 0.666663 Si\n-0.000014 0.296367 0.000001 Ag\n0.000014 0.796367 -0.000001 Ag\n0.822624 0.765968 0.094244 S\n0.271647 0.765965 0.177391 S\n0.094250 0.265969 0.271639 S\n0.905751 0.765969 0.728362 S\n0.476482 0.013364 0.888258 S\n0.111740 0.013364 0.588225 S\n0.333335 0.531458 0.666660 S\n0.523519 0.513364 0.111743 S\n0.411773 0.013354 0.523513 S\n0.588228 0.513354 0.476488 S\n0.177377 0.265968 0.905756 S\n0.666666 0.031458 0.333341 S\n0.888261 0.513364 0.411776 S\n0.728354 0.265965 0.822610 S\n",
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{
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"formula_reduced": "KMnAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.140370383610548,
"spacegroup": 149
},
{
"id": "jvasp-86791",
"created_at": "2022-09-04T14:35:49.426951Z",
"updated_at": "2022-09-04T14:35:49.426969Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n6.873339 0.000000 0.000000\n-3.436670 5.952486 -0.000000\n-0.000000 0.000000 8.486904\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.508212 0.016423 0.500000 Ag\n0.508212 0.491789 0.500000 Ag\n0.983577 0.491789 0.500000 Ag\n0.986589 0.344168 0.291909 C\n0.357579 0.344168 0.708090 C\n0.986589 0.642422 0.708090 C\n0.655832 0.642422 0.291909 C\n0.655832 0.013411 0.708090 C\n0.357579 0.013411 0.291909 C\n0.990499 0.262458 0.172095 N\n0.737542 0.728041 0.172095 N\n0.737542 0.009502 0.827904 N\n0.271960 0.262458 0.827904 N\n0.271960 0.009502 0.172095 N\n0.990499 0.728041 0.827904 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Cd-N-Rb",
"density": 3.2404045908559693,
"density_atomic": 0.048959106661584685,
"volume": 347.2285578555888,
"volume_molar": 12.300348537047995,
"formula_full": "Rb1 Cd1 Ag3 C6 N6",
"formula_reduced": "RbCdAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 4.690198295882353,
"spacegroup": 149
}
]
}