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{
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{
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{
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"structure_string": "Mn6 Ga2\n1.0\n2.570869 -4.452875 0.000000\n2.570869 4.452875 0.000000\n0.000000 0.000000 4.186445\nMn Ga\n6 2\ndirect\n0.842021 0.157979 0.250000 Mn\n0.842021 0.684041 0.250000 Mn\n0.315959 0.157979 0.250000 Mn\n0.157979 0.842021 0.750000 Mn\n0.157979 0.315959 0.750000 Mn\n0.684041 0.842021 0.750000 Mn\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n",
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{
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{
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{
"id": "mp-1517481",
"created_at": "2022-09-04T14:48:17.958082Z",
"structure_string": "K4 La4 Eu4 Sb4 O24\n1.0\n8.388402 0.000000 0.000000\n0.000000 8.492306 0.000000\n0.000000 0.000000 8.468877\nK La Eu Sb O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n-0.000000 0.500000 -0.000000 K\n-0.000000 0.000000 0.500000 K\n-0.000000 0.500000 0.500000 La\n0.500000 0.000000 -0.000000 La\n-0.000000 0.000000 -0.000000 La\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.750000 Eu\n0.250000 0.750000 0.250000 Eu\n0.750000 0.250000 0.250000 Eu\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.016747 0.214704 0.274262 O\n0.983253 0.785296 0.274262 O\n0.983253 0.214704 0.725738 O\n0.016747 0.785296 0.725738 O\n0.279998 0.015949 0.194681 O\n0.279998 0.984051 0.805319 O\n0.720002 0.984051 0.194681 O\n0.720002 0.015949 0.805319 O\n0.211924 0.262291 0.016357 O\n0.788076 0.262291 0.983643 O\n0.211924 0.737709 0.983643 O\n0.788076 0.737709 0.016357 O\n0.483253 0.285296 0.225738 O\n0.516747 0.714704 0.225738 O\n0.516747 0.285296 0.774262 O\n0.483253 0.714704 0.774262 O\n0.220002 0.484051 0.305319 O\n0.220002 0.515949 0.694681 O\n0.779998 0.515949 0.305319 O\n0.779998 0.484051 0.694681 O\n0.288076 0.237709 0.483643 O\n0.711924 0.237709 0.516357 O\n0.288076 0.762291 0.516357 O\n0.711924 0.762291 0.483643 O\n",
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{
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"id": "mp-19855",
"created_at": "2022-09-04T14:48:29.309647Z",
"structure_string": "Cr28 C12\n1.0\n4.505687 0.000000 0.000000\n0.000000 6.944503 0.000000\n0.000000 0.000000 12.038149\nCr C\n28 12\ndirect\n0.058855 0.064905 0.811683 Cr\n0.558855 0.435095 0.688317 Cr\n0.941145 0.564905 0.188317 Cr\n0.441145 0.935095 0.311683 Cr\n0.941145 0.935095 0.188317 Cr\n0.441145 0.564905 0.311683 Cr\n0.058855 0.435095 0.811683 Cr\n0.558855 0.064905 0.688317 Cr\n0.250489 0.067019 0.021619 Cr\n0.750489 0.432981 0.478381 Cr\n0.749511 0.567019 0.978381 Cr\n0.249511 0.932981 0.521619 Cr\n0.749511 0.932981 0.978381 Cr\n0.249511 0.567019 0.521619 Cr\n0.250489 0.432981 0.021619 Cr\n0.750489 0.067019 0.478381 Cr\n0.241715 0.750000 0.916765 Cr\n0.741715 0.750000 0.583235 Cr\n0.758285 0.250000 0.083235 Cr\n0.258285 0.250000 0.416765 Cr\n0.257518 0.750000 0.704137 Cr\n0.757518 0.750000 0.795863 Cr\n0.742482 0.250000 0.295863 Cr\n0.242482 0.250000 0.204137 Cr\n0.442145 0.750000 0.126616 Cr\n0.942145 0.750000 0.373384 Cr\n0.557855 0.250000 0.873384 Cr\n0.057855 0.250000 0.626616 Cr\n0.531737 0.033447 0.155776 C\n0.031737 0.466553 0.344224 C\n0.468263 0.533447 0.844224 C\n0.968263 0.966553 0.655776 C\n0.468263 0.966553 0.844224 C\n0.968263 0.533447 0.655776 C\n0.531737 0.466553 0.155776 C\n0.031737 0.033447 0.344224 C\n0.033870 0.750000 0.062867 C\n0.533870 0.750000 0.437133 C\n0.966130 0.250000 0.937133 C\n0.466130 0.250000 0.562867 C\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Cr",
"C"
],
"chemical_system": "C-Cr",
"density": 7.053625346332182,
"density_atomic": 0.10619353747403935,
"volume": 376.67075559827373,
"volume_molar": 5.670910775970906,
"formula_full": "Cr28 C12",
"formula_reduced": "Cr7C3",
"formula_anonymous": "A3B7",
"energy": -384.97679808,
"energy_per_atom": -9.624419952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -384.97679808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0153117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:47.152000Z",
"spacegroup": 62
}
]
}