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{
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{
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{
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"density": 13.149999300130919,
"density_atomic": 0.06813518196601565,
"volume": 146.76705501407164,
"volume_molar": 8.838518642254034,
"formula_full": "Ce1 U4 N5",
"formula_reduced": "CeU4N5",
"formula_anonymous": "AB4C5",
"energy": -108.21821475,
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"updated_at": "2021-11-28T01:36:51.629000Z",
"spacegroup": 166
},
{
"id": "mp-1238907",
"created_at": "2022-09-04T14:45:09.596565Z",
"structure_string": "Fe8 Cl24 O20\n1.0\n6.706939 0.000000 0.000000\n0.000000 13.189562 0.000000\n0.000000 0.000000 15.157933\nFe Cl O\n8 24 20\ndirect\n0.511486 0.017810 0.757280 Fe\n0.488514 0.982190 0.257280 Fe\n0.511486 0.482190 0.257280 Fe\n0.488514 0.517810 0.757280 Fe\n0.937582 0.726489 0.471163 Fe\n0.062418 0.273511 0.971163 Fe\n0.937582 0.773511 0.971163 Fe\n0.062418 0.226489 0.471163 Fe\n0.840173 0.027736 0.779456 Cl\n0.159827 0.972264 0.279456 Cl\n0.840173 0.472264 0.279456 Cl\n0.159827 0.527736 0.779456 Cl\n0.394159 0.172603 0.744954 Cl\n0.605841 0.827397 0.244954 Cl\n0.394159 0.327397 0.244954 Cl\n0.605841 0.672603 0.744954 Cl\n0.371491 0.945676 0.874200 Cl\n0.628509 0.054324 0.374200 Cl\n0.371491 0.554324 0.374200 Cl\n0.628509 0.445676 0.874200 Cl\n0.443821 0.922323 0.642340 Cl\n0.556179 0.077677 0.142340 Cl\n0.443821 0.577677 0.142340 Cl\n0.556179 0.422323 0.642340 Cl\n0.206938 0.653217 0.534817 Cl\n0.793062 0.346783 0.034817 Cl\n0.206938 0.846783 0.034817 Cl\n0.793062 0.153217 0.534817 Cl\n0.088228 0.873426 0.471766 Cl\n0.911772 0.126574 0.971766 Cl\n0.088228 0.626574 0.971766 Cl\n0.911772 0.373426 0.471766 Cl\n0.952540 0.265187 0.690514 O\n0.047460 0.734813 0.190514 O\n0.952540 0.234813 0.190514 O\n0.047460 0.765187 0.690514 O\n0.938618 0.832069 0.663524 O\n0.061382 0.167931 0.163524 O\n0.938618 0.667931 0.163524 O\n0.061382 0.332069 0.663524 O\n0.784518 0.661689 0.540677 O\n0.215482 0.338311 0.040677 O\n0.784518 0.838311 0.040677 O\n0.215482 0.161689 0.540677 O\n0.945060 0.680699 0.371118 O\n0.054940 0.319301 0.871118 O\n0.945060 0.819301 0.871118 O\n0.054940 0.180699 0.371118 O\n0.700386 0.788140 0.461091 O\n0.299614 0.211860 0.961091 O\n0.700386 0.711860 0.961091 O\n0.299614 0.288140 0.461091 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Fe",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-O",
"density": 2.0032303532260225,
"density_atomic": 0.038780073727577,
"volume": 1340.894820502163,
"volume_molar": 15.528956448882614,
"formula_full": "Fe8 Cl24 O20",
"formula_reduced": "Fe2Cl6O5",
"formula_anonymous": "A2B5C6",
"energy": -202.88627159,
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"updated_at": "2021-11-28T01:36:56.394000Z",
"spacegroup": 29
}
]
}