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{
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{
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{
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"structure_string": "Fe3 Co2 Sn1 P6 O24\n1.0\n7.322620 -4.344146 0.000000\n7.322620 4.344146 0.000000\n4.745454 0.000000 7.069161\nFe Co Sn P O\n3 2 1 6 24\ndirect\n0.645921 0.645921 0.645921 Fe\n0.853785 0.853785 0.853785 Fe\n0.355660 0.355660 0.355660 Fe\n0.994334 0.994334 0.994334 Co\n0.500855 0.500855 0.500855 Co\n0.143471 0.143471 0.143471 Sn\n0.951022 0.253039 0.549710 P\n0.549710 0.951022 0.253039 P\n0.253039 0.549710 0.951022 P\n0.745933 0.457643 0.047475 P\n0.457643 0.047475 0.745933 P\n0.047475 0.745933 0.457643 P\n0.501843 0.109967 0.319417 O\n0.319417 0.501843 0.109967 O\n0.109967 0.319417 0.501843 O\n0.937883 0.093524 0.747291 O\n0.985886 0.181583 0.396729 O\n0.751954 0.408203 0.564332 O\n0.747291 0.937883 0.093524 O\n0.564332 0.751954 0.408203 O\n0.820212 0.609449 0.005100 O\n0.408203 0.564332 0.751954 O\n0.904819 0.254974 0.059700 O\n0.609449 0.005100 0.820212 O\n0.396729 0.985886 0.181583 O\n0.093524 0.747291 0.937883 O\n0.591782 0.440981 0.247575 O\n0.181583 0.396729 0.985886 O\n0.440981 0.247575 0.591782 O\n0.254974 0.059700 0.904819 O\n0.247575 0.591782 0.440981 O\n0.005100 0.820212 0.609449 O\n0.059700 0.904819 0.254974 O\n0.892681 0.677661 0.497597 O\n0.677661 0.497597 0.892681 O\n0.497597 0.892681 0.677661 O\n",
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{
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"density_atomic": 0.08605258778543667,
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"volume_molar": 6.998209949264503,
"formula_full": "Cu1 Pb1 O3",
"formula_reduced": "CuPbO3",
"formula_anonymous": "ABC3",
"energy": -27.24489343,
"energy_per_atom": -5.448978686,
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"energy_uncorrected": -25.18389343,
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"updated_at": "2021-11-28T01:36:20.199000Z",
"spacegroup": 221
},
{
"id": "mp-1024998",
"created_at": "2022-09-04T14:43:21.311003Z",
"structure_string": "Sc2 Co2 Si2\n1.0\n1.809626 -7.305440 0.000000\n1.809626 7.305440 0.000000\n0.000000 0.000000 3.567966\nSc Co Si\n2 2 2\ndirect\n0.595358 0.404642 0.250000 Sc\n0.404642 0.595358 0.750000 Sc\n0.949846 0.050154 0.250000 Co\n0.050154 0.949846 0.750000 Co\n0.245814 0.754186 0.250000 Si\n0.754186 0.245814 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Si"
],
"chemical_system": "Co-Sc-Si",
"density": 4.64604660595614,
"density_atomic": 0.06360120469596955,
"volume": 94.3378357168166,
"volume_molar": 9.468595428007085,
"formula_full": "Sc2 Co2 Si2",
"formula_reduced": "ScCoSi",
"formula_anonymous": "ABC",
"energy": -38.22028837,
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"energy_uncorrected": -38.36228837,
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"updated_at": "2021-11-28T01:36:13.403000Z",
"spacegroup": 63
}
]
}