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"structure_string": "K2 Sn1 Hg1 Se4\n1.0\n6.449459 0.055566 -1.842875\n-3.656885 5.312797 -1.842875\n-0.028905 -0.055566 6.707525\nK Sn Hg Se\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 K\n-0.000000 0.500000 0.500000 K\n0.500001 0.500001 0.000001 Sn\n0.000000 0.000000 0.000000 Hg\n0.444892 0.093253 0.000001 Se\n0.093253 0.444891 0.000001 Se\n0.555109 0.555109 0.648362 Se\n0.906749 0.906749 0.351640 Se\n",
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"elements": [
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"Hg",
"Se"
],
"chemical_system": "Hg-K-Se-Sn",
"density": 5.152809405290404,
"density_atomic": 0.03480089882822144,
"volume": 229.87912006205082,
"volume_molar": 17.304555234982622,
"formula_full": "K2 Sn1 Hg1 Se4",
"formula_reduced": "K2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.2634244708333333,
"spacegroup": 121
},
{
"id": "jvasp-47623",
"created_at": "2022-09-04T14:35:45.279117Z",
"updated_at": "2022-09-04T14:35:45.279146Z",
"structure_string": "Li4 Fe4 Co4 O16\n1.0\n5.688591 -0.000000 -0.000000\n0.000000 5.688591 0.000000\n0.000000 0.000000 8.095630\nLi Fe Co O\n4 4 4 16\ndirect\n0.000000 0.241660 0.000000 Li\n0.000000 0.758340 0.500000 Li\n0.241660 0.000000 0.250000 Li\n0.758340 0.000000 0.750000 Li\n0.252259 0.252259 0.625000 Fe\n0.252259 0.747740 0.875000 Fe\n0.747740 0.252259 0.375000 Fe\n0.747740 0.747740 0.125000 Fe\n0.756826 0.500000 0.750000 Co\n0.500000 0.756826 0.500000 Co\n0.500000 0.243173 0.000000 Co\n0.243173 0.500000 0.250000 Co\n0.731819 0.984776 0.494781 O\n0.731819 0.015223 0.005219 O\n0.735621 0.487158 0.983689 O\n0.735621 0.512841 0.516311 O\n0.512841 0.735621 0.733689 O\n0.512841 0.264379 0.766311 O\n0.487158 0.735621 0.266311 O\n0.015223 0.731819 0.244781 O\n0.264379 0.512841 0.483689 O\n0.264379 0.487158 0.016311 O\n0.268181 0.984776 0.505219 O\n0.268181 0.015223 0.994781 O\n0.984776 0.268181 0.744781 O\n0.015223 0.268181 0.255219 O\n0.487158 0.264379 0.233689 O\n0.984776 0.731819 0.755219 O\n",
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],
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}
]
}