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"formula_full": "Ce2 Zn17",
"formula_reduced": "Ce2Zn17",
"formula_anonymous": "A2B17",
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"updated_at": "2021-11-28T01:34:49.158000Z",
"spacegroup": 166
},
{
"id": "mp-978252",
"created_at": "2022-09-04T14:48:12.341165Z",
"structure_string": "Ce4 Zn34\n1.0\n8.987076 0.000086 0.000190\n-4.493464 7.782867 -0.000181\n0.000183 -0.000092 8.808028\nCe Zn\n4 34\ndirect\n0.333275 0.666671 0.749996 Ce\n0.666701 0.333316 0.250005 Ce\n0.999960 0.999970 0.250009 Ce\n0.000032 0.000024 0.749992 Ce\n0.329841 0.959661 0.250002 Zn\n0.669968 0.040197 0.749994 Zn\n0.040305 0.370130 0.249992 Zn\n0.629830 0.670128 0.250010 Zn\n0.370247 0.330067 0.749984 Zn\n0.959791 0.629771 0.750011 Zn\n0.370237 0.040187 0.750003 Zn\n0.669935 0.629780 0.749992 Zn\n0.959790 0.330012 0.750002 Zn\n0.040314 0.670165 0.250006 Zn\n0.329855 0.370177 0.250011 Zn\n0.629842 0.959684 0.249992 Zn\n0.499975 0.999961 0.999915 Zn\n0.499955 0.999918 0.500090 Zn\n0.000071 0.500036 0.999911 Zn\n0.499953 0.500048 0.999907 Zn\n0.499958 0.500036 0.500077 Zn\n0.000055 0.500032 0.500094 Zn\n0.333338 0.666686 0.100663 Zn\n0.666671 0.333324 0.600810 Zn\n0.666676 0.333354 0.899178 Zn\n0.333315 0.666661 0.399354 Zn\n0.162087 0.324192 0.977896 Zn\n0.837947 0.675891 0.477914 Zn\n0.675811 0.837927 0.977919 Zn\n0.162081 0.837912 0.977868 Zn\n0.837946 0.162056 0.477910 Zn\n0.324125 0.162058 0.477913 Zn\n0.837958 0.675872 0.022082 Zn\n0.837950 0.162058 0.022104 Zn\n0.324121 0.162049 0.022073 Zn\n0.675821 0.837910 0.522086 Zn\n0.162085 0.837901 0.522124 Zn\n0.162074 0.324173 0.522111 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Ce",
"Zn"
],
"chemical_system": "Ce-Zn",
"density": 7.504762179030241,
"density_atomic": 0.06168001740668031,
"volume": 616.0828352147056,
"volume_molar": 9.763519877586424,
"formula_full": "Ce4 Zn34",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -75.39999346,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:35.631000Z",
"spacegroup": 194
},
{
"id": "mp-640899",
"created_at": "2022-09-04T14:45:57.007033Z",
"structure_string": "Ce4 Zn4 Cu10\n1.0\n12.721354 -2.609774 0.000000\n12.721354 2.609774 0.000000\n12.185961 0.000000 4.488443\nCe Zn Cu\n4 4 10\ndirect\n0.944250 0.944250 0.944250 Ce\n0.152059 0.152059 0.152059 Ce\n0.847941 0.847941 0.847941 Ce\n0.055750 0.055750 0.055750 Ce\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.110876 0.608639 0.608639 Cu\n0.391361 0.889124 0.391361 Cu\n0.608639 0.608639 0.110876 Cu\n0.277015 0.277015 0.277015 Cu\n0.391361 0.391361 0.889124 Cu\n0.889124 0.391361 0.391361 Cu\n0.608639 0.110876 0.608639 Cu\n0.388814 0.388814 0.388814 Cu\n0.722985 0.722985 0.722985 Cu\n0.611186 0.611186 0.611186 Cu\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Cu"
],
"chemical_system": "Ce-Cu-Zn",
"density": 8.121076298101725,
"density_atomic": 0.06039633105476595,
"volume": 298.03134868702585,
"volume_molar": 9.971037403810618,
"formula_full": "Ce4 Zn4 Cu10",
"formula_reduced": "Ce2Zn2Cu5",
"formula_anonymous": "A2B2C5",
"energy": -72.66840335,
"energy_per_atom": -4.037133519444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.3436997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.978000Z",
"spacegroup": 166
}
]
}