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},
{
"id": "mp-756835",
"created_at": "2022-09-04T14:47:43.633300Z",
"structure_string": "Li4 Mn1 Fe3 O8\n1.0\n5.093726 0.000000 0.000000\n-0.195715 5.527588 0.000000\n-0.020993 -0.028744 6.651845\nLi Mn Fe O\n4 1 3 8\ndirect\n0.997501 0.917132 0.378119 Li\n0.493573 0.583150 0.875974 Li\n0.990296 0.419791 0.123843 Li\n0.498546 0.086672 0.624041 Li\n0.498959 0.083549 0.127787 Mn\n0.002452 0.916237 0.870942 Fe\n0.494482 0.586641 0.374012 Fe\n0.995529 0.416788 0.624335 Fe\n0.377664 0.940123 0.875660 O\n0.401327 0.917182 0.374049 O\n0.890839 0.582983 0.862822 O\n0.871139 0.567165 0.384967 O\n0.372536 0.432684 0.614400 O\n0.375024 0.416155 0.139309 O\n0.891438 0.083755 0.635490 O\n0.875094 0.049996 0.114249 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.3534688916218216,
"density_atomic": 0.085429254532677,
"volume": 187.28947229523047,
"volume_molar": 7.049272281424988,
"formula_full": "Li4 Mn1 Fe3 O8",
"formula_reduced": "Li4MnFe3O8",
"formula_anonymous": "AB3C4D8",
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"updated_at": "2021-11-28T01:38:17.606000Z",
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},
{
"id": "mp-1042425",
"created_at": "2022-09-04T14:47:43.732927Z",
"structure_string": "Zn4 Cu4 As8 O28\n1.0\n8.483674 0.000000 0.000000\n0.000000 7.232139 0.000000\n0.000000 3.542821 9.106605\nZn Cu As O\n4 4 8 28\ndirect\n0.070042 0.732294 0.900484 Zn\n0.570042 0.267706 0.599516 Zn\n0.929958 0.267706 0.099516 Zn\n0.429958 0.732294 0.400484 Zn\n0.940152 0.201162 0.670361 Cu\n0.440152 0.798838 0.829639 Cu\n0.059848 0.798838 0.329639 Cu\n0.559848 0.201162 0.170361 Cu\n0.771321 0.562328 0.752446 As\n0.271321 0.437672 0.747554 As\n0.228679 0.437672 0.247554 As\n0.728679 0.562328 0.252446 As\n0.722921 0.961999 0.966311 As\n0.222921 0.038001 0.533689 As\n0.277079 0.038001 0.033689 As\n0.777079 0.961999 0.466311 As\n0.726551 0.138992 0.047311 O\n0.226551 0.861008 0.452689 O\n0.273449 0.861008 0.952689 O\n0.773449 0.138992 0.547311 O\n0.585747 0.638476 0.766487 O\n0.085747 0.361524 0.733513 O\n0.414253 0.361524 0.233513 O\n0.914253 0.638476 0.266487 O\n0.896176 0.534562 0.895912 O\n0.396176 0.465438 0.604088 O\n0.103824 0.465438 0.104088 O\n0.603824 0.534562 0.395912 O\n0.861240 0.739303 0.593137 O\n0.361240 0.260697 0.906863 O\n0.138760 0.260697 0.406863 O\n0.638760 0.739303 0.093137 O\n0.918709 0.007584 0.332781 O\n0.418709 0.992416 0.167219 O\n0.081291 0.992416 0.667219 O\n0.581291 0.007584 0.832781 O\n0.738354 0.353959 0.205364 O\n0.238354 0.646041 0.294636 O\n0.261646 0.646041 0.794636 O\n0.761646 0.353959 0.705364 O\n0.595623 0.936580 0.403365 O\n0.095623 0.063420 0.096635 O\n0.404377 0.063420 0.596635 O\n0.904377 0.936580 0.903365 O\n",
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"elements": [
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"O"
],
"chemical_system": "As-Cu-O-Zn",
"density": 4.64568479874279,
"density_atomic": 0.0787490713105077,
"volume": 558.736747846942,
"volume_molar": 7.6472530529975264,
"formula_full": "Zn4 Cu4 As8 O28",
"formula_reduced": "ZnCuAs2O7",
"formula_anonymous": "ABC2D7",
"energy": -264.43734017,
"energy_per_atom": -6.009939549318182,
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"updated_at": "2021-11-28T01:38:18.195000Z",
"spacegroup": 14
}
]
}