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{
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{
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"structure_string": "Ce1 Mg14 Bi1\n1.0\n3.276647 -5.675319 0.000000\n3.276647 5.675319 0.000000\n0.000000 0.000000 10.784349\nCe Mg Bi\n1 14 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.008662 0.504331 0.000000 Mg\n0.996335 0.498167 0.500000 Mg\n0.495669 0.991338 0.000000 Mg\n0.501833 0.003665 0.500000 Mg\n0.495669 0.504331 0.000000 Mg\n0.501833 0.498167 0.500000 Mg\n0.167481 0.832519 0.249825 Mg\n0.167481 0.832519 0.750175 Mg\n0.167481 0.334962 0.249825 Mg\n0.167481 0.334962 0.750175 Mg\n0.665038 0.832519 0.249825 Mg\n0.665038 0.832519 0.750175 Mg\n0.666667 0.333333 0.242789 Mg\n0.666667 0.333333 0.757211 Mg\n0.000000 0.000000 0.500000 Bi\n",
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{
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"structure_string": "Ce1 Mg14 Bi1\n1.0\n6.527915 0.074294 0.000000\n-3.199617 5.541899 0.000000\n0.000000 0.000000 10.386302\nCe Mg Bi\n1 14 1\ndirect\n0.168977 0.334488 0.125000 Ce\n0.164006 0.332003 0.625000 Mg\n0.162873 0.831436 0.625000 Mg\n0.665617 0.326687 0.125000 Mg\n0.667313 0.334781 0.625000 Mg\n0.665617 0.838929 0.125000 Mg\n0.667313 0.832531 0.625000 Mg\n0.338444 0.170446 0.386529 Mg\n0.338444 0.170446 0.863471 Mg\n0.338444 0.668000 0.386529 Mg\n0.338444 0.668000 0.863471 Mg\n0.830817 0.165409 0.381248 Mg\n0.830817 0.165409 0.868752 Mg\n0.825958 0.662979 0.374447 Mg\n0.825958 0.662979 0.875553 Mg\n0.170957 0.835478 0.125000 Bi\n",
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"id": "mp-1099113",
"created_at": "2022-09-04T14:44:21.636909Z",
"structure_string": "Ce1 Mg14 Co1\n1.0\n3.050430 -5.832701 0.000000\n3.050430 5.832701 0.000000\n0.000000 0.000000 10.564279\nCe Mg Co\n1 14 1\ndirect\n0.318963 0.681037 0.500000 Ce\n0.828355 0.171645 0.000000 Mg\n0.331510 0.668490 0.000000 Mg\n0.309547 0.172249 0.500000 Mg\n0.332488 0.172851 0.000000 Mg\n0.827751 0.690453 0.500000 Mg\n0.827149 0.667512 0.000000 Mg\n0.170330 0.326716 0.251029 Mg\n0.170330 0.326716 0.748971 Mg\n0.673284 0.829670 0.251029 Mg\n0.673284 0.829670 0.748971 Mg\n0.681841 0.318159 0.277165 Mg\n0.681841 0.318159 0.722835 Mg\n0.168367 0.831633 0.238538 Mg\n0.168367 0.831633 0.761462 Mg\n0.836601 0.163399 0.500000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Co"
],
"chemical_system": "Ce-Co-Mg",
"density": 2.382288420511617,
"density_atomic": 0.042561737352431864,
"volume": 375.92450391562323,
"volume_molar": 14.14918923570659,
"formula_full": "Ce1 Mg14 Co1",
"formula_reduced": "CeMg14Co",
"formula_anonymous": "ABC14",
"energy": -34.1115047,
"energy_per_atom": -2.13196904375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.1115047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4680389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.191000Z",
"spacegroup": 38
},
{
"id": "mp-1099102",
"created_at": "2022-09-04T14:47:08.288082Z",
"structure_string": "Ce1 Mg14 Co1\n1.0\n3.215324 -5.569105 0.000000\n3.215324 5.569105 0.000000\n0.000000 0.000000 10.069759\nCe Mg Co\n1 14 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.997419 0.498709 0.000000 Mg\n0.011382 0.505691 0.500000 Mg\n0.501291 0.002581 0.000000 Mg\n0.494309 0.988618 0.500000 Mg\n0.501291 0.498709 0.000000 Mg\n0.494309 0.505691 0.500000 Mg\n0.163755 0.836245 0.234525 Mg\n0.163755 0.836245 0.765475 Mg\n0.163755 0.327511 0.234525 Mg\n0.163755 0.327511 0.765475 Mg\n0.672489 0.836245 0.234525 Mg\n0.672489 0.836245 0.765475 Mg\n0.666667 0.333333 0.258231 Mg\n0.666667 0.333333 0.741769 Mg\n0.000000 0.000000 0.000000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Co"
],
"chemical_system": "Ce-Co-Mg",
"density": 2.4833375436759044,
"density_atomic": 0.04436707133415365,
"volume": 360.6278151536057,
"volume_molar": 13.573446655164215,
"formula_full": "Ce1 Mg14 Co1",
"formula_reduced": "CeMg14Co",
"formula_anonymous": "ABC14",
"energy": -33.51739158,
"energy_per_atom": -2.09483697375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.51739158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1948172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.070000Z",
"spacegroup": 187
}
]
}