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{
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{
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{
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{
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{
"id": "mp-1039091",
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"structure_string": "Mg4 Bi2\n1.0\n1.700121 5.976203 0.000000\n-1.700121 5.976203 0.000000\n0.000000 3.134331 7.700252\nMg Bi\n4 2\ndirect\n0.829182 0.829182 0.134858 Mg\n0.151333 0.151333 0.468931 Mg\n0.848667 0.848667 0.531069 Mg\n0.170818 0.170818 0.865142 Mg\n0.547676 0.547676 0.214409 Bi\n0.452324 0.452324 0.785591 Bi\n",
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{
"id": "mp-867215",
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"structure_string": "Sc6 Os2 C8\n1.0\n2.242005 6.427631 0.000000\n-2.242005 6.427631 0.000000\n0.000000 1.758333 6.483316\nSc Os C\n6 2 8\ndirect\n0.500000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.189523 0.189523 0.905584 Sc\n0.191758 0.191758 0.403690 Sc\n0.808242 0.808242 0.596310 Sc\n0.810477 0.810477 0.094416 Sc\n0.000296 0.000296 0.263818 Os\n0.999704 0.999704 0.736182 Os\n0.788161 0.466516 0.685302 C\n0.466516 0.788161 0.685302 C\n0.788659 0.467899 0.186749 C\n0.467899 0.788659 0.186749 C\n0.532101 0.211341 0.813251 C\n0.211341 0.532101 0.813251 C\n0.533484 0.211839 0.314698 C\n0.211839 0.533484 0.314698 C\n",
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{
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{
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"id": "mp-1209183",
"created_at": "2022-09-04T14:47:46.741578Z",
"structure_string": "Sm6 Co16 Sn8\n1.0\n0.000000 0.000000 -7.604910\n-4.467870 -7.738578 0.000000\n-4.467870 7.738578 0.000000\nSm Co Sn\n6 16 8\ndirect\n0.783827 0.475359 0.950717 Sm\n0.783827 0.475359 0.524641 Sm\n0.283827 0.524641 0.049283 Sm\n0.783827 0.049283 0.524641 Sm\n0.283827 0.524641 0.475359 Sm\n0.283827 0.950717 0.475359 Sm\n0.618093 0.666667 0.333333 Co\n0.118093 0.333333 0.666667 Co\n0.755928 0.095925 0.191850 Co\n0.755928 0.095925 0.904075 Co\n0.255928 0.904075 0.808150 Co\n0.755928 0.808150 0.904075 Co\n0.255928 0.904075 0.095925 Co\n0.255928 0.191850 0.095925 Co\n0.946449 0.843016 0.686031 Co\n0.946449 0.843016 0.156984 Co\n0.446449 0.156984 0.313969 Co\n0.946449 0.313969 0.156984 Co\n0.446449 0.156984 0.843016 Co\n0.446449 0.686031 0.843016 Co\n0.000289 0.000000 0.000000 Co\n0.500289 0.000000 0.000000 Co\n0.968349 0.666667 0.333333 Sn\n0.468349 0.333333 0.666667 Sn\n0.573252 0.829732 0.659463 Sn\n0.573252 0.829732 0.170268 Sn\n0.073252 0.170268 0.340537 Sn\n0.573252 0.340537 0.170268 Sn\n0.073252 0.170268 0.829732 Sn\n0.073252 0.659463 0.829732 Sn\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Sn"
],
"chemical_system": "Co-Sm-Sn",
"density": 8.8248956205583,
"density_atomic": 0.05704735166757627,
"volume": 525.8789255426726,
"volume_molar": 10.556389707785113,
"formula_full": "Sm6 Co16 Sn8",
"formula_reduced": "Sm3(Co2Sn)4",
"formula_anonymous": "A3B4C8",
"energy": -182.88339027,
"energy_per_atom": -6.096113009000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.88339027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9071004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.688000Z",
"spacegroup": 186
}
]
}