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"structure_string": "Mn29\n1.0\n-4.455500 -4.455500 4.455500\n-4.455500 4.455500 -4.455500\n4.455500 -4.455500 -4.455500\nMn\n29\ndirect\n0.000000 0.000000 0.000000 Mn\n0.364260 0.364260 0.364260 Mn\n1.000000 0.000000 0.635740 Mn\n1.000000 0.635740 0.000000 Mn\n0.635740 1.000000 1.000000 Mn\n0.179160 0.807640 0.807640 Mn\n1.000000 0.371520 0.192360 Mn\n0.000000 0.192360 0.371520 Mn\n0.820840 0.628480 0.628480 Mn\n0.807640 0.179160 0.807640 Mn\n0.371520 0.000000 0.192360 Mn\n0.628480 0.820840 0.628480 Mn\n0.192360 0.000000 0.371520 Mn\n0.807640 0.807640 0.179160 Mn\n0.628480 0.628480 0.820840 Mn\n0.371520 0.192360 0.000000 Mn\n0.192360 0.371520 0.000000 Mn\n0.714120 0.322490 0.322490 Mn\n0.000000 0.391630 0.677510 Mn\n1.000000 0.677510 0.391630 Mn\n0.285880 0.608370 0.608370 Mn\n0.322490 0.714120 0.322490 Mn\n0.391630 0.000000 0.677510 Mn\n0.608370 0.285880 0.608370 Mn\n0.677510 0.000000 0.391630 Mn\n0.322490 0.322490 0.714120 Mn\n0.608370 0.608370 0.285880 Mn\n0.391630 0.677510 0.000000 Mn\n0.677510 0.391630 1.000000 Mn\n",
"nsites": 29,
"nelements": 1,
"elements": [
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],
"chemical_system": "Mn",
"density": 7.47775033190327,
"density_atomic": 0.08196881611353357,
"volume": 353.7930810154999,
"volume_molar": 7.34686804754974,
"formula_full": "Mn29",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"mineral_name": "alpha",
"aflow_id": "A_cI58_217_ac2g",
"pearson_symbol": "cI58",
"strukturbericht_symbol": "A12",
"nsites_wyckoff": 4,
"spacegroup": 217
},
{
"id": 249,
"created_at": "2022-09-04T14:35:37.130055Z",
"updated_at": "2022-09-04T14:35:37.130074Z",
"structure_string": "Cr23 C6\n1.0\n-5.325000 -5.325000 0.000000\n-5.325000 0.000000 -5.325000\n0.000000 -5.325000 -5.325000\nC Cr\n6 23\ndirect\n0.723500 0.723500 0.276500 C\n0.276500 0.276500 0.723500 C\n0.276500 0.723500 0.723500 C\n0.723500 0.276500 0.276500 C\n0.723500 0.276500 0.723500 C\n0.276500 0.723500 0.276500 C\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cr\n0.250000 0.250000 0.250000 Cr\n0.380900 0.380900 0.380900 Cr\n0.380900 0.380900 0.857300 Cr\n0.380900 0.857300 0.380900 Cr\n0.857300 0.380900 0.380900 Cr\n0.619100 0.619100 0.619100 Cr\n0.619100 0.619100 0.142700 Cr\n0.619100 0.142700 0.619100 Cr\n0.142700 0.619100 0.619100 Cr\n0.000000 0.000000 0.660200 Cr\n1.000000 1.000000 0.339800 Cr\n0.660200 0.339800 0.000000 Cr\n0.339800 0.660200 1.000000 Cr\n0.660200 1.000000 1.000000 Cr\n0.000000 0.660200 0.339800 Cr\n1.000000 0.339800 0.660200 Cr\n0.339800 0.000000 0.000000 Cr\n0.000000 0.660200 1.000000 Cr\n0.660200 0.000000 0.339800 Cr\n1.000000 0.339800 1.000000 Cr\n0.339800 1.000000 0.660200 Cr\n",
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"elements": [
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"Cr"
],
"chemical_system": "C-Cr",
"density": 6.9722152286031,
"density_atomic": 0.09603049464914563,
"volume": 301.98740625000005,
"volume_molar": 6.271071269602773,
"formula_full": "Cr23 C6",
"formula_reduced": "Cr23C6",
"formula_anonymous": "A6B23",
"mineral_name": null,
"aflow_id": "A6B23_cF116_225_e_acfh",
"pearson_symbol": "cF116",
"strukturbericht_symbol": "D8_4",
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"spacegroup": 225
}
]
}