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"structure_string": "Mg8 Si6\n1.0\n6.424153 0.000000 0.000000\n-1.362455 6.489612 0.000000\n-1.288074 -3.355232 6.675724\nMg Si\n8 6\ndirect\n0.514608 0.375579 0.455359 Mg\n0.077112 0.014304 0.141492 Mg\n0.196233 0.587426 0.010692 Mg\n0.486877 0.808706 0.515885 Mg\n0.950431 0.111111 0.475855 Mg\n0.574720 0.940803 0.103917 Mg\n0.719518 0.593365 0.017825 Mg\n0.257786 0.332784 0.767667 Mg\n0.884472 0.708667 0.432103 Si\n0.830405 0.474918 0.759669 Si\n0.384451 0.940897 0.749999 Si\n0.465680 0.232137 0.183084 Si\n0.121853 0.551350 0.349223 Si\n0.785814 0.077965 0.787239 Si\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.165541481473815,
"density_atomic": 0.05030313533318476,
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"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.50403854,
"band_gap": 0.0,
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"total_magnetization": 7.63e-05,
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"updated_at": "2021-11-28T01:35:01.472000Z",
"spacegroup": 1
},
{
"id": "mp-1189329",
"created_at": "2022-09-04T14:40:54.654251Z",
"structure_string": "Y12 Co4\n1.0\n9.496347 0.000000 0.000000\n0.000000 6.338302 0.000000\n0.000000 0.000711 7.012687\nY Co\n12 4\ndirect\n0.489344 0.366808 0.042892 Y\n0.487868 0.141588 0.546194 Y\n0.989344 0.633192 0.957108 Y\n0.987868 0.858412 0.453806 Y\n0.303912 0.823581 0.175045 Y\n0.668569 0.685493 0.677153 Y\n0.803912 0.176419 0.824955 Y\n0.168569 0.314507 0.322847 Y\n0.305359 0.673208 0.671029 Y\n0.668549 0.832787 0.174092 Y\n0.805359 0.326792 0.328971 Y\n0.168549 0.167213 0.825908 Y\n0.500013 0.543510 0.388399 Co\n0.487543 0.957912 0.889862 Co\n0.000013 0.456490 0.611601 Co\n0.987543 0.042088 0.110138 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Co-Y",
"density": 5.1244493619122355,
"density_atomic": 0.03790583115121358,
"volume": 422.09864588308204,
"volume_molar": 15.887109125708218,
"formula_full": "Y12 Co4",
"formula_reduced": "Y3Co",
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"energy_uncorrected": -108.3132941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.292000Z",
"spacegroup": 4
},
{
"id": "mp-861889",
"created_at": "2022-09-04T14:40:57.916320Z",
"structure_string": "Sc6 Tc2\n1.0\n3.126141 -5.414634 0.000000\n3.126141 5.414634 0.000000\n0.000000 0.000000 4.779545\nSc Tc\n6 2\ndirect\n0.171779 0.343558 0.250000 Sc\n0.656442 0.828221 0.250000 Sc\n0.171779 0.828221 0.250000 Sc\n0.828221 0.656442 0.750000 Sc\n0.343558 0.171779 0.750000 Sc\n0.828221 0.171779 0.750000 Sc\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Tc"
],
"chemical_system": "Sc-Tc",
"density": 4.77962908363096,
"density_atomic": 0.04944197015281233,
"volume": 161.8058498735805,
"volume_molar": 12.180220046626625,
"formula_full": "Sc6 Tc2",
"formula_reduced": "Sc3Tc",
"formula_anonymous": "AB3",
"energy": -59.27798005,
"energy_per_atom": -7.40974750625,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:59.051000Z",
"spacegroup": 194
}
]
}