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{
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"structure_string": "Li2 Mg12 C2\n1.0\n4.588417 0.000000 0.000000\n0.000000 6.235933 0.000000\n0.000000 0.000000 10.665397\nLi Mg C\n2 12 2\ndirect\n0.500000 0.000000 0.833965 Li\n0.500000 0.500000 0.333965 Li\n0.500000 0.248503 0.584929 Mg\n0.500000 0.751497 0.584929 Mg\n0.000000 0.237721 0.408224 Mg\n0.000000 0.762279 0.408224 Mg\n0.000000 0.000000 0.669851 Mg\n0.000000 0.000000 0.176733 Mg\n0.500000 0.748503 0.084929 Mg\n0.500000 0.251497 0.084929 Mg\n0.000000 0.737721 0.908224 Mg\n0.000000 0.262279 0.908224 Mg\n0.000000 0.500000 0.169851 Mg\n0.000000 0.500000 0.676733 Mg\n0.500000 0.000000 0.333149 C\n0.500000 0.500000 0.833149 C\n",
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{
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{
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{
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"structure_string": "K1 Eu1 Nb1 Bi1 O6\n1.0\n0.000000 -4.266860 -4.266860\n4.266860 0.000000 -4.266860\n4.266860 -4.266860 -0.000000\nK Eu Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Nb\n-0.000000 -0.000000 -0.000000 Bi\n0.735853 0.264147 0.264147 O\n0.264147 0.735853 0.735853 O\n0.735853 0.264147 0.735853 O\n0.264147 0.735853 0.264147 O\n0.735853 0.735853 0.264147 O\n0.264147 0.264147 0.735853 O\n",
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{
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{
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"chemical_system": "Ho-N-O",
"density": 2.3511808484317736,
"density_atomic": 0.06474768258845573,
"volume": 1065.6752063015526,
"volume_molar": 9.300936372159404,
"formula_full": "Ho3 N21 O45",
"formula_reduced": "HoN7O15",
"formula_anonymous": "AB7C15",
"energy": -448.63658213,
"energy_per_atom": -6.50197945115942,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -417.72158213,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:39.695000Z",
"spacegroup": 144
},
{
"id": "mp-780328",
"created_at": "2022-09-04T14:48:23.784767Z",
"structure_string": "Fe10 O16 F4\n1.0\n15.072748 0.000000 0.000000\n0.000000 4.647280 0.000000\n0.000000 0.129950 4.647960\nFe O F\n10 16 4\ndirect\n0.195319 0.989990 0.995652 Fe\n0.000000 0.013770 0.975803 Fe\n0.804681 0.989990 0.995652 Fe\n0.600969 0.999166 0.001142 Fe\n0.399031 0.999166 0.001142 Fe\n0.104237 0.489944 0.501822 Fe\n0.698716 0.523074 0.525728 Fe\n0.895763 0.489944 0.501822 Fe\n0.500000 0.474002 0.475437 Fe\n0.301284 0.523074 0.525728 Fe\n0.096205 0.805548 0.797931 O\n0.903795 0.805548 0.797931 O\n0.700511 0.816751 0.822151 O\n0.299489 0.816751 0.822151 O\n0.204462 0.307749 0.702569 O\n0.000000 0.312836 0.673783 O\n0.795538 0.307749 0.702569 O\n0.599750 0.306362 0.693220 O\n0.400250 0.306362 0.693220 O\n0.202271 0.694785 0.313223 O\n0.797729 0.694785 0.313223 O\n0.599803 0.691173 0.308649 O\n0.400197 0.691173 0.308649 O\n0.098339 0.189835 0.185108 O\n0.901661 0.189835 0.185108 O\n0.500000 0.176088 0.177778 O\n0.500000 0.793668 0.794770 F\n0.000000 0.695644 0.292446 F\n0.700344 0.202619 0.207799 F\n0.299656 0.202619 0.207799 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.541477621233531,
"density_atomic": 0.09214411324060438,
"volume": 325.5769570614322,
"volume_molar": 6.535567545454735,
"formula_full": "Fe10 O16 F4",
"formula_reduced": "Fe5(O4F)2",
"formula_anonymous": "A2B5C8",
"energy": -218.72236209,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:05.099000Z",
"spacegroup": 6
}
]
}