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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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{
"id": "mp-1211057",
"created_at": "2022-09-04T14:41:10.577651Z",
"structure_string": "Lu8 Mo4 O24\n1.0\n5.456777 8.114022 0.000000\n-5.456777 8.114022 0.000000\n0.000000 1.663056 5.039090\nLu Mo O\n8 4 24\ndirect\n0.637701 0.362299 0.750000 Lu\n0.362299 0.637701 0.250000 Lu\n0.105045 0.894955 0.750000 Lu\n0.894955 0.105045 0.250000 Lu\n0.718344 0.947469 0.877728 Lu\n0.281656 0.052531 0.122272 Lu\n0.052531 0.281656 0.622272 Lu\n0.947469 0.718344 0.377728 Lu\n0.511337 0.796666 0.562363 Mo\n0.488663 0.203334 0.437637 Mo\n0.203334 0.488663 0.937637 Mo\n0.796666 0.511337 0.062363 Mo\n0.695052 0.160712 0.583846 O\n0.304948 0.839288 0.416154 O\n0.839288 0.304948 0.916154 O\n0.160712 0.695052 0.083846 O\n0.381213 0.824439 0.878503 O\n0.618787 0.175561 0.121497 O\n0.175561 0.618787 0.621497 O\n0.824439 0.381213 0.378503 O\n0.687095 0.787684 0.638414 O\n0.312905 0.212316 0.361586 O\n0.212316 0.312905 0.861586 O\n0.787684 0.687095 0.138414 O\n0.476262 0.063257 0.748024 O\n0.523738 0.936743 0.251976 O\n0.936743 0.523738 0.751976 O\n0.063257 0.476262 0.248024 O\n0.547234 0.608092 0.516353 O\n0.452766 0.391908 0.483647 O\n0.391908 0.452766 0.983647 O\n0.608092 0.547234 0.016353 O\n0.889800 0.927842 0.079488 O\n0.110200 0.072158 0.920512 O\n0.072158 0.110200 0.420512 O\n0.927842 0.889800 0.579488 O\n",
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{
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{
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{
"id": "mp-1196278",
"created_at": "2022-09-04T14:39:22.754805Z",
"structure_string": "Sm8 Fe56 C4\n1.0\n8.729003 0.000000 0.000000\n0.000000 8.729003 0.000000\n0.000000 0.000000 11.829893\nSm Fe C\n8 56 4\ndirect\n0.239405 0.760595 0.500000 Sm\n0.760595 0.239405 0.500000 Sm\n0.260595 0.260595 0.000000 Sm\n0.739405 0.739405 0.000000 Sm\n0.643445 0.643445 0.500000 Sm\n0.356555 0.356555 0.500000 Sm\n0.856555 0.143445 0.000000 Sm\n0.143445 0.856555 0.000000 Sm\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.107167 Fe\n0.000000 0.000000 0.607167 Fe\n0.500000 0.500000 0.892833 Fe\n0.000000 0.000000 0.392833 Fe\n0.183399 0.816601 0.254731 Fe\n0.816601 0.183399 0.254731 Fe\n0.316601 0.316601 0.754731 Fe\n0.683399 0.683399 0.754731 Fe\n0.816601 0.183399 0.745269 Fe\n0.183399 0.816601 0.745269 Fe\n0.683399 0.683399 0.245269 Fe\n0.316601 0.316601 0.245269 Fe\n0.402556 0.597444 0.293946 Fe\n0.597444 0.402556 0.293946 Fe\n0.097444 0.097444 0.793946 Fe\n0.902556 0.902556 0.793946 Fe\n0.597444 0.402556 0.706054 Fe\n0.402556 0.597444 0.706054 Fe\n0.902556 0.902556 0.206054 Fe\n0.097444 0.097444 0.206054 Fe\n0.141012 0.535799 0.323721 Fe\n0.858988 0.464201 0.323721 Fe\n0.358988 0.035799 0.823721 Fe\n0.641012 0.964201 0.823721 Fe\n0.858988 0.464201 0.676279 Fe\n0.141012 0.535799 0.676279 Fe\n0.641012 0.964201 0.176279 Fe\n0.358988 0.035799 0.176279 Fe\n0.535799 0.141012 0.323721 Fe\n0.464201 0.858988 0.323721 Fe\n0.035799 0.358988 0.823721 Fe\n0.964201 0.641012 0.823721 Fe\n0.464201 0.858988 0.676279 Fe\n0.535799 0.141012 0.676279 Fe\n0.964201 0.641012 0.176279 Fe\n0.035799 0.358988 0.176279 Fe\n0.934797 0.725849 0.378711 Fe\n0.065203 0.274151 0.378711 Fe\n0.565203 0.225849 0.878711 Fe\n0.434797 0.774151 0.878711 Fe\n0.065203 0.274151 0.621289 Fe\n0.934797 0.725849 0.621289 Fe\n0.434797 0.774151 0.121289 Fe\n0.565203 0.225849 0.121289 Fe\n0.725849 0.934797 0.378711 Fe\n0.274151 0.065203 0.378711 Fe\n0.225849 0.565203 0.878711 Fe\n0.774151 0.434797 0.878711 Fe\n0.274151 0.065203 0.621289 Fe\n0.725849 0.934797 0.621289 Fe\n0.774151 0.434797 0.121289 Fe\n0.225849 0.565203 0.121289 Fe\n0.873143 0.873143 0.500000 C\n0.126857 0.126857 0.500000 C\n0.626857 0.373143 0.000000 C\n0.373143 0.626857 0.000000 C\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"C"
],
"chemical_system": "C-Fe-Sm",
"density": 8.065640068887838,
"density_atomic": 0.0754395016310299,
"volume": 901.3845336967355,
"volume_molar": 7.982741971777505,
"formula_full": "Sm8 Fe56 C4",
"formula_reduced": "Sm2Fe14C",
"formula_anonymous": "AB2C14",
"energy": -551.38350614,
"energy_per_atom": -8.10858097264706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -551.38350614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 120.9485031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.040000Z",
"spacegroup": 136
},
{
"id": "mp-2801",
"created_at": "2022-09-04T14:41:22.618403Z",
"structure_string": "Ce2 Cu4\n1.0\n-2.198036 3.321349 3.767821\n2.198036 -3.321349 3.767821\n2.198036 3.321349 -3.767821\nCe Cu\n2 4\ndirect\n0.725770 0.475770 0.250000 Ce\n0.274230 0.524230 0.750000 Ce\n0.701244 0.166067 0.535176 Cu\n0.298756 0.833933 0.464824 Cu\n0.130891 0.166067 0.964824 Cu\n0.869109 0.833933 0.035176 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Cu"
],
"chemical_system": "Ce-Cu",
"density": 8.065457035626098,
"density_atomic": 0.05453203225097067,
"volume": 110.0270749563565,
"volume_molar": 11.043308879970828,
"formula_full": "Ce2 Cu4",
"formula_reduced": "CeCu2",
"formula_anonymous": "AB2",
"energy": -29.31254112,
"energy_per_atom": -4.88542352,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.31254112,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0061788,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.640000Z",
"spacegroup": 74
}
]
}