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{
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"structure_string": "Nd4 Y4 Co56 B4\n1.0\n8.613343 0.000000 0.000000\n0.000000 8.613343 0.000000\n0.000000 0.000000 11.721777\nNd Y Co B\n4 4 56 4\ndirect\n0.643411 0.643411 0.500000 Nd\n0.356589 0.356589 0.500000 Nd\n0.856589 0.143411 0.000000 Nd\n0.143411 0.856589 0.000000 Nd\n0.224022 0.775978 0.500000 Y\n0.775978 0.224022 0.500000 Y\n0.275978 0.275978 0.000000 Y\n0.724022 0.724022 0.000000 Y\n0.400927 0.599073 0.295559 Co\n0.599073 0.400927 0.295559 Co\n0.099073 0.099073 0.795559 Co\n0.900927 0.900927 0.795559 Co\n0.599073 0.400927 0.704441 Co\n0.400927 0.599073 0.704441 Co\n0.900927 0.900927 0.204441 Co\n0.099073 0.099073 0.204441 Co\n0.182246 0.817754 0.254663 Co\n0.817754 0.182246 0.254663 Co\n0.317754 0.317754 0.754663 Co\n0.682246 0.682246 0.754663 Co\n0.817754 0.182246 0.745337 Co\n0.182246 0.817754 0.745337 Co\n0.682246 0.682246 0.245337 Co\n0.317754 0.317754 0.245337 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.140331 0.537473 0.322046 Co\n0.859669 0.462527 0.322046 Co\n0.359669 0.037473 0.822046 Co\n0.640331 0.962527 0.822046 Co\n0.859669 0.462527 0.677954 Co\n0.140331 0.537473 0.677954 Co\n0.640331 0.962527 0.177954 Co\n0.359669 0.037473 0.177954 Co\n0.537473 0.140331 0.322046 Co\n0.462527 0.859669 0.322046 Co\n0.037473 0.359669 0.822046 Co\n0.962527 0.640331 0.822046 Co\n0.462527 0.859669 0.677954 Co\n0.537473 0.140331 0.677954 Co\n0.962527 0.640331 0.177954 Co\n0.037473 0.359669 0.177954 Co\n0.931931 0.724061 0.373871 Co\n0.068069 0.275939 0.373871 Co\n0.568069 0.224061 0.873871 Co\n0.431931 0.775939 0.873871 Co\n0.068069 0.275939 0.626129 Co\n0.931931 0.724061 0.626129 Co\n0.431931 0.775939 0.126129 Co\n0.568069 0.224061 0.126129 Co\n0.724061 0.931931 0.373871 Co\n0.275939 0.068069 0.373871 Co\n0.224061 0.568069 0.873871 Co\n0.775939 0.431931 0.873871 Co\n0.275939 0.068069 0.626129 Co\n0.724061 0.931931 0.626129 Co\n0.775939 0.431931 0.126129 Co\n0.224061 0.568069 0.126129 Co\n0.500000 0.500000 0.115592 Co\n0.000000 0.000000 0.615592 Co\n0.500000 0.500000 0.884408 Co\n0.000000 0.000000 0.384408 Co\n0.877316 0.877316 0.500000 B\n0.122684 0.122684 0.500000 B\n0.622684 0.377316 0.000000 B\n0.377316 0.622684 0.000000 B\n",
"nsites": 68,
"nelements": 4,
"elements": [
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"Co",
"B"
],
"chemical_system": "B-Co-Nd-Y",
"density": 8.16506101854585,
"density_atomic": 0.0781937378162695,
"volume": 869.6348569469649,
"volume_molar": 7.701563997554539,
"formula_full": "Nd4 Y4 Co56 B4",
"formula_reduced": "NdYCo14B",
"formula_anonymous": "ABCD14",
"energy": -479.68701115,
"energy_per_atom": -7.054220752205882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -479.68701115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 73.1849394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.910000Z",
"spacegroup": 136
},
{
"id": "mp-1027757",
"created_at": "2022-09-04T14:46:26.798549Z",
"structure_string": "Na1 Mg14 Fe1\n1.0\n6.338954 -0.054611 0.000000\n-3.216772 5.571612 0.000000\n0.000000 0.000000 9.959998\nNa Mg Fe\n1 14 1\ndirect\n0.164407 0.832203 0.125000 Na\n0.167159 0.333579 0.625000 Mg\n0.172673 0.836336 0.625000 Mg\n0.666636 0.339263 0.125000 Mg\n0.664674 0.328147 0.625000 Mg\n0.666636 0.827372 0.125000 Mg\n0.664674 0.836527 0.625000 Mg\n0.325664 0.176621 0.362183 Mg\n0.325664 0.176621 0.887817 Mg\n0.325664 0.649044 0.362183 Mg\n0.325664 0.649044 0.887817 Mg\n0.847575 0.173788 0.357418 Mg\n0.847575 0.173788 0.892582 Mg\n0.829280 0.664641 0.382159 Mg\n0.829280 0.664641 0.867841 Mg\n0.176775 0.338387 0.125000 Fe\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Fe"
],
"chemical_system": "Fe-Mg-Na",
"density": 1.9882891186532705,
"density_atomic": 0.04571174685056244,
"volume": 350.01943925499177,
"volume_molar": 13.174164574561438,
"formula_full": "Na1 Mg14 Fe1",
"formula_reduced": "NaMg14Fe",
"formula_anonymous": "ABC14",
"energy": -29.73679571,
"energy_per_atom": -1.858549731875,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -29.73679571,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.013484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.599000Z",
"spacegroup": 38
}
]
}