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{
"id": "mp-640089",
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{
"id": "mp-1183748",
"created_at": "2022-09-04T14:39:21.287079Z",
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"spacegroup": 139
},
{
"id": "mp-984727",
"created_at": "2022-09-04T14:45:26.639912Z",
"structure_string": "Ce3 Br1\n1.0\n4.574962 0.000000 0.000000\n0.000000 4.574962 0.000000\n0.000000 0.000000 4.574962\nCe Br\n3 1\ndirect\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Br\n",
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"formula_full": "Ce3 Br1",
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"spacegroup": 221
},
{
"id": "mp-8667",
"created_at": "2022-09-04T14:39:16.676800Z",
"structure_string": "Ce3 B6 C3\n1.0\n4.215520 -3.306321 0.000000\n4.215520 3.306321 0.000000\n1.622303 0.000000 5.105928\nCe B C\n3 6 3\ndirect\n0.686428 0.686428 0.686428 Ce\n0.313572 0.313572 0.313572 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.774865 0.225135 B\n0.225135 0.500000 0.774865 B\n0.774865 0.225135 0.500000 B\n0.500000 0.225135 0.774865 B\n0.225135 0.774865 0.500000 B\n0.774865 0.500000 0.225135 B\n0.000000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n0.500000 0.000000 0.000000 C\n",
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"spacegroup": 166
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{
"id": "mp-10468",
"created_at": "2022-09-04T14:45:06.133781Z",
"structure_string": "Ce3 B3 Pt6\n1.0\n2.742264 -4.749741 0.000000\n2.742264 4.749741 0.000000\n0.000000 0.000000 7.960611\nCe B Pt\n3 3 6\ndirect\n0.500000 0.500000 0.333333 Ce\n0.000000 0.500000 0.666667 Ce\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.166667 B\n0.500000 0.500000 0.833333 B\n0.500000 0.000000 0.500000 B\n0.303570 0.151785 0.666667 Pt\n0.151785 0.848215 0.333333 Pt\n0.848215 0.696430 0.000000 Pt\n0.848215 0.151785 0.333333 Pt\n0.151785 0.303570 0.000000 Pt\n0.696430 0.848215 0.666667 Pt\n",
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"density": 12.998351715457826,
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"volume": 207.37461316116102,
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"formula_full": "Ce3 B3 Pt6",
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"updated_at": "2021-11-28T01:36:46.590000Z",
"spacegroup": 180
},
{
"id": "mp-3603",
"created_at": "2022-09-04T14:39:30.327014Z",
"structure_string": "Ce3 B2 N4\n1.0\n-1.756756 3.109426 5.281900\n1.756756 -3.109426 5.281900\n1.756756 3.109426 -5.281900\nCe B N\n3 2 4\ndirect\n0.697038 0.197038 0.500000 Ce\n0.302962 0.802962 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.357336 0.500000 0.857336 B\n0.642664 0.500000 0.142664 B\n0.360436 0.622086 0.738350 N\n0.883735 0.622086 0.261650 N\n0.116265 0.377914 0.738350 N\n0.639564 0.377914 0.261650 N\n",
"nsites": 9,
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],
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"volume": 115.40957377816633,
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"formula_full": "Ce3 B2 N4",
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"updated_at": "2021-11-28T01:34:31.189000Z",
"spacegroup": 71
},
{
"id": "mp-574159",
"created_at": "2022-09-04T14:45:36.981547Z",
"structure_string": "Ce3 As6 Pd9\n1.0\n2.073302 8.400582 0.000000\n-2.073302 8.400582 0.000000\n0.000000 3.092087 9.612020\nCe As Pd\n3 6 9\ndirect\n0.155691 0.155691 0.297899 Ce\n0.844309 0.844309 0.702101 Ce\n0.000000 0.000000 0.000000 Ce\n0.801128 0.801128 0.129141 As\n0.636617 0.636617 0.543647 As\n0.363383 0.363383 0.456353 As\n0.198872 0.198872 0.870859 As\n0.537610 0.537610 0.212683 As\n0.462390 0.462390 0.787317 As\n0.042543 0.042543 0.665651 Pd\n0.321818 0.321818 0.966939 Pd\n0.678182 0.678182 0.033061 Pd\n0.780267 0.780267 0.391784 Pd\n0.374464 0.374464 0.203814 Pd\n0.957457 0.957457 0.334349 Pd\n0.219733 0.219733 0.608216 Pd\n0.500000 0.500000 0.500000 Pd\n0.625536 0.625536 0.796186 Pd\n",
"nsites": 18,
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"elements": [
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"density": 9.0641551500104,
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"volume": 334.8240177866896,
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"formula_full": "Ce3 As6 Pd9",
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{
"id": "mp-1214275",
"created_at": "2022-09-04T14:45:16.214791Z",
"structure_string": "Ce3 Al9 Br36\n1.0\n5.374158 -9.308315 0.000000\n5.374158 9.308315 0.000000\n0.000000 0.000000 19.258014\nCe Al Br\n3 9 36\ndirect\n0.726623 0.000000 0.333333 Ce\n0.000000 0.726623 0.666667 Ce\n0.273377 0.273377 0.000000 Ce\n0.303805 0.630580 0.720336 Al\n0.369420 0.673226 0.053670 Al\n0.630580 0.303805 0.279664 Al\n0.326774 0.696195 0.387003 Al\n0.673226 0.369420 0.946330 Al\n0.696195 0.326774 0.612997 Al\n0.099888 0.000000 0.833333 Al\n0.000000 0.099888 0.166667 Al\n0.900112 0.900112 0.500000 Al\n0.077106 0.197296 0.864718 Br\n0.802704 0.879810 0.198051 Br\n0.197296 0.077106 0.135282 Br\n0.120190 0.922894 0.531384 Br\n0.879810 0.802704 0.801949 Br\n0.922894 0.120190 0.468616 Br\n0.084816 0.586411 0.776636 Br\n0.413589 0.498405 0.109970 Br\n0.586411 0.084816 0.223364 Br\n0.501595 0.915184 0.443303 Br\n0.498405 0.413589 0.890030 Br\n0.915184 0.501595 0.556697 Br\n0.504156 0.275674 0.544781 Br\n0.724326 0.228482 0.878115 Br\n0.275674 0.504156 0.455219 Br\n0.771518 0.495844 0.211448 Br\n0.228482 0.724326 0.121885 Br\n0.495844 0.771518 0.788552 Br\n0.236131 0.524696 0.957396 Br\n0.475304 0.711435 0.290730 Br\n0.524696 0.236131 0.042604 Br\n0.288565 0.763869 0.624063 Br\n0.711435 0.475304 0.709270 Br\n0.763869 0.288565 0.375937 Br\n0.232545 0.027161 0.732406 Br\n0.972839 0.205384 0.065739 Br\n0.027161 0.232545 0.267594 Br\n0.794616 0.767455 0.399073 Br\n0.205384 0.972839 0.934261 Br\n0.767455 0.794616 0.600927 Br\n0.283996 0.420955 0.683376 Br\n0.579045 0.863042 0.016709 Br\n0.420955 0.283996 0.316624 Br\n0.136958 0.716004 0.350042 Br\n0.863042 0.579045 0.983291 Br\n0.716004 0.136958 0.649958 Br\n",
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{
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"structure_string": "Ce3 Al4 Si6\n1.0\n2.081229 -3.604794 0.000000\n2.081229 3.604794 0.000000\n0.000000 0.000000 17.671569\nCe Al Si\n3 4 6\ndirect\n0.000000 0.000000 0.890764 Ce\n0.000000 0.000000 0.109236 Ce\n0.000000 0.000000 0.500000 Ce\n0.666667 0.333333 0.252567 Al\n0.333333 0.666667 0.747433 Al\n0.666667 0.333333 0.640378 Al\n0.333333 0.666667 0.359622 Al\n0.666667 0.333333 0.002149 Si\n0.333333 0.666667 0.215310 Si\n0.666667 0.333333 0.784690 Si\n0.333333 0.666667 0.602470 Si\n0.666667 0.333333 0.397530 Si\n0.333333 0.666667 0.997851 Si\n",
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{
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{
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{
"id": "mp-1079868",
"created_at": "2022-09-04T14:40:53.660063Z",
"structure_string": "Ce3 Al3 Cu3\n1.0\n3.535493 -6.123654 0.000000\n3.535493 6.123654 0.000000\n0.000000 0.000000 4.125164\nCe Al Cu\n3 3 3\ndirect\n0.419749 0.419749 0.500000 Ce\n0.580251 0.000000 0.500000 Ce\n0.000000 0.580251 0.500000 Ce\n0.770090 0.770090 0.000000 Al\n0.229910 0.000000 0.000000 Al\n0.000000 0.229910 0.000000 Al\n0.666667 0.333333 0.000000 Cu\n0.333333 0.666667 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Cu"
],
"chemical_system": "Al-Ce-Cu",
"density": 6.432500137311189,
"density_atomic": 0.05038609125683193,
"volume": 178.62072201879076,
"volume_molar": 11.951990340555435,
"formula_full": "Ce3 Al3 Cu3",
"formula_reduced": "CeAlCu",
"formula_anonymous": "ABC",
"energy": -44.24510682,
"energy_per_atom": -4.91612298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.24510682,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6881423,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.583000Z",
"spacegroup": 189
}
]
}