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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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"elements": [
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],
"chemical_system": "Cr-F-Zr",
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"volume_molar": 10.428005044376423,
"formula_full": "Zr4 Cr4 F6",
"formula_reduced": "Zr2Cr2F3",
"formula_anonymous": "A2B2C3",
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"updated_at": "2021-11-28T01:34:31.658000Z",
"spacegroup": 8
},
{
"id": "mp-1215323",
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"structure_string": "Zr4 Cr4 Fe4\n1.0\n-2.540389 -4.346258 0.000000\n-5.034594 -0.026663 0.000000\n0.000000 0.000000 -8.094804\nZr Cr Fe\n4 4 4\ndirect\n0.333532 0.333548 0.560848 Zr\n0.665866 0.665902 0.436560 Zr\n0.665866 0.665902 0.063440 Zr\n0.333532 0.333548 0.939152 Zr\n0.000246 0.000195 0.503402 Cr\n0.000246 0.000195 0.996598 Cr\n0.831353 0.338985 0.750000 Cr\n0.339007 0.831350 0.750000 Cr\n0.828922 0.828940 0.750000 Fe\n0.167304 0.665128 0.250000 Fe\n0.665123 0.167303 0.250000 Fe\n0.169002 0.169005 0.250000 Fe\n",
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"density_atomic": 0.06795812536765122,
"volume": 176.57932638783655,
"volume_molar": 8.861546323446118,
"formula_full": "Zr4 Cr4 Fe4",
"formula_reduced": "ZrCrFe",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:26.695000Z",
"spacegroup": 38
},
{
"id": "mp-1215295",
"created_at": "2022-09-04T14:45:58.661825Z",
"structure_string": "Zr4 Cr4 Fe4\n1.0\n2.496717 -4.289886 0.000000\n2.496717 4.289886 0.000000\n0.000000 0.000000 8.290818\nZr Cr Fe\n4 4 4\ndirect\n0.332714 0.667286 0.186358 Zr\n0.665935 0.334065 0.310838 Zr\n0.665935 0.334065 0.689162 Zr\n0.332714 0.667286 0.813642 Zr\n0.833718 0.166282 0.000000 Cr\n0.168565 0.337688 0.500000 Cr\n0.662312 0.831435 0.500000 Cr\n0.169324 0.830676 0.500000 Cr\n0.998715 0.001285 0.247786 Fe\n0.998715 0.001285 0.752214 Fe\n0.834026 0.662641 0.000000 Fe\n0.337359 0.165974 0.000000 Fe\n",
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"elements": [
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],
"chemical_system": "Cr-Fe-Zr",
"density": 7.4449497053707185,
"density_atomic": 0.06756764760727549,
"volume": 177.59978961747774,
"volume_molar": 8.912757766856979,
"formula_full": "Zr4 Cr4 Fe4",
"formula_reduced": "ZrCrFe",
"formula_anonymous": "ABC",
"energy": -108.19329736,
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"updated_at": "2021-11-28T01:37:15.001000Z",
"spacegroup": 38
}
]
}