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"formula_full": "Ce1 Al1 Cu4",
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{
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"created_at": "2022-09-04T14:39:16.946020Z",
"structure_string": "Ca2 La2 Fe2 Co2 O12\n1.0\n5.459180 0.000000 0.000000\n0.000000 5.478933 0.000000\n0.000000 5.452425 7.785189\nCa La Fe Co O\n2 2 2 2 12\ndirect\n0.713835 0.741344 0.749696 Ca\n0.286165 0.741344 0.249696 Ca\n0.223763 0.254329 0.750702 La\n0.776237 0.254329 0.250702 La\n0.749952 0.000060 0.999666 Fe\n0.250048 0.000060 0.499666 Fe\n0.750744 0.499860 0.500271 Co\n0.249256 0.499860 0.000271 Co\n0.238964 0.171036 0.251450 O\n0.029285 0.742822 0.041970 O\n0.024043 0.332588 0.459647 O\n0.975957 0.332588 0.959647 O\n0.970715 0.742822 0.541970 O\n0.761036 0.171036 0.751450 O\n0.735126 0.820830 0.248143 O\n0.525750 0.259894 0.461562 O\n0.519140 0.677240 0.036890 O\n0.480860 0.677240 0.536890 O\n0.474250 0.259894 0.961562 O\n0.264874 0.820830 0.748143 O\n",
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"volume": 232.85875120770285,
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"formula_full": "Ca2 La2 Fe2 Co2 O12",
"formula_reduced": "CaLaFeCoO6",
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{
"id": "mp-1080570",
"created_at": "2022-09-04T14:39:44.461517Z",
"structure_string": "Cs2 Ni2 Br6\n1.0\n3.847954 -6.664852 0.000000\n3.847954 6.664852 0.000000\n0.000000 0.000000 6.336364\nCs Ni Br\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.152222 0.847778 0.250000 Br\n0.152222 0.304444 0.250000 Br\n0.695556 0.847778 0.250000 Br\n0.847778 0.152222 0.750000 Br\n0.847778 0.695556 0.750000 Br\n0.304444 0.152222 0.750000 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Cs-Ni",
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"density_atomic": 0.030768725330615615,
"volume": 325.00533878307147,
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"formula_full": "Cs2 Ni2 Br6",
"formula_reduced": "CsNiBr3",
"formula_anonymous": "ABC3",
"energy": -36.1588556,
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"updated_at": "2021-11-28T01:34:26.013000Z",
"spacegroup": 194
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{
"id": "mp-13398",
"created_at": "2022-09-04T14:39:48.247748Z",
"structure_string": "Yb1 Mn2 Si2\n1.0\n-1.964760 1.964760 5.171000\n1.964760 -1.964760 5.171000\n1.964760 1.964760 -5.171000\nYb Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.623263 0.623263 0.000000 Si\n0.376737 0.376737 0.000000 Si\n",
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"density": 7.05191076191353,
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"volume": 79.8460699425984,
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"formula_full": "Yb1 Mn2 Si2",
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"formula_anonymous": "AB2C2",
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]
}