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{
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{
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"structure_string": "Ce2 Mo2 C3\n1.0\n1.678141 6.080303 0.000000\n-1.678141 6.080303 0.000000\n0.000000 2.439476 5.247858\nCe Mo C\n2 2 3\ndirect\n0.395844 0.395844 0.806623 Ce\n0.604156 0.604156 0.193377 Ce\n0.158935 0.158935 0.675388 Mo\n0.841065 0.841065 0.324612 Mo\n0.000000 0.000000 0.000000 C\n0.251507 0.251507 0.261419 C\n0.748493 0.748493 0.738581 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ce",
"Mo",
"C"
],
"chemical_system": "C-Ce-Mo",
"density": 7.8789844609257695,
"density_atomic": 0.06536304847416587,
"volume": 107.0941481985297,
"volume_molar": 9.213371928912089,
"formula_full": "Ce2 Mo2 C3",
"formula_reduced": "Ce2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy": -63.24792427,
"energy_per_atom": -9.035417752857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.24792427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.57e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.589000Z",
"spacegroup": 12
},
{
"id": "mp-1227019",
"created_at": "2022-09-04T14:39:40.923259Z",
"structure_string": "Ce2 Mn7 Al10\n1.0\n4.434585 2.587400 4.299221\n-4.437050 2.561732 4.317029\n-0.023461 -5.134163 4.299221\nCe Mn Al\n2 7 10\ndirect\n0.655477 0.658352 0.655477 Ce\n0.350848 0.359082 0.350848 Ce\n0.994479 0.996240 0.507632 Mn\n0.996365 0.504645 0.996365 Mn\n0.507632 0.996240 0.994479 Mn\n0.340416 0.840856 0.340416 Mn\n0.142456 0.660879 0.662028 Mn\n0.662028 0.660879 0.142456 Mn\n0.659799 0.144916 0.659799 Mn\n0.890863 0.891781 0.890863 Al\n0.117484 0.106508 0.117484 Al\n0.301611 0.705332 0.000720 Al\n0.685714 0.990005 0.308369 Al\n0.995370 0.299579 0.701824 Al\n0.308369 0.990005 0.685714 Al\n0.000720 0.705332 0.301611 Al\n0.701824 0.299579 0.995370 Al\n0.843585 0.344893 0.344959 Al\n0.344959 0.344893 0.843585 Al\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Al"
],
"chemical_system": "Al-Ce-Mn",
"density": 5.271227537877055,
"density_atomic": 0.06453333709678033,
"volume": 294.42147043327066,
"volume_molar": 9.331829145870179,
"formula_full": "Ce2 Mn7 Al10",
"formula_reduced": "Ce2Mn7Al10",
"formula_anonymous": "A2B7C10",
"energy": -119.06884978,
"energy_per_atom": -6.266781567368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.06884978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0877099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.868000Z",
"spacegroup": 8
},
{
"id": "mp-1226973",
"created_at": "2022-09-04T14:44:56.929810Z",
"structure_string": "Ce2 Mn5 Ni5\n1.0\n3.998378 0.000000 0.000000\n0.000000 5.130165 0.000000\n0.000000 0.000000 8.760543\nCe Mn Ni\n2 5 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.341096 Mn\n0.000000 0.500000 0.833285 Mn\n0.000000 0.500000 0.166715 Mn\n0.000000 0.000000 0.658904 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Ni\n0.500000 0.251777 0.252509 Ni\n0.500000 0.748223 0.747491 Ni\n0.500000 0.748223 0.252509 Ni\n0.500000 0.251777 0.747491 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Ni"
],
"chemical_system": "Ce-Mn-Ni",
"density": 7.839674535576441,
"density_atomic": 0.06677825062968372,
"volume": 179.69922672196893,
"volume_molar": 9.018116981523752,
"formula_full": "Ce2 Mn5 Ni5",
"formula_reduced": "Ce2(MnNi)5",
"formula_anonymous": "A2B5C5",
"energy": -87.84255064,
"energy_per_atom": -7.3202125533333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.84255064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.2717073,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.426000Z",
"spacegroup": 47
}
]
}