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{
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{
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{
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{
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"structure_string": "Tb2 Fe17 N2\n1.0\n4.269615 4.841154 0.000000\n-4.269615 4.841154 0.000000\n0.000000 0.973461 6.444725\nTb Fe N\n2 17 2\ndirect\n0.340956 0.340956 0.344011 Tb\n0.659044 0.659044 0.655989 Tb\n0.655388 0.655388 0.144860 Fe\n0.654912 0.147100 0.660375 Fe\n0.147100 0.654912 0.660375 Fe\n0.344612 0.344612 0.855140 Fe\n0.345088 0.852900 0.339625 Fe\n0.852900 0.345088 0.339625 Fe\n0.708741 0.291259 0.000000 Fe\n0.283610 0.998098 0.717708 Fe\n0.001902 0.716390 0.282292 Fe\n0.716390 0.001902 0.282292 Fe\n0.998098 0.283610 0.717708 Fe\n0.291259 0.708741 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.095739 0.095739 0.095085 Fe\n0.904261 0.904261 0.904915 Fe\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n",
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{
"id": "mp-1191539",
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{
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"volume_molar": 10.591642620462391,
"formula_full": "Tb2 Fe12 Sn12",
"formula_reduced": "Tb(FeSn)6",
"formula_anonymous": "AB6C6",
"energy": -161.99418386,
"energy_per_atom": -6.230545533076922,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.99418386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9244899,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.296000Z",
"spacegroup": 63
},
{
"id": "mp-1191561",
"created_at": "2022-09-04T14:45:29.839425Z",
"structure_string": "Tb2 Fe12 P7\n1.0\n0.000000 0.000000 -3.637269\n-4.484461 -7.763722 0.000000\n-4.491417 7.767742 0.000000\nTb Fe P\n2 12 7\ndirect\n0.000000 0.666691 0.333348 Tb\n0.500000 0.333370 0.666513 Tb\n0.000000 0.372914 0.944939 Fe\n0.000000 0.055163 0.427809 Fe\n0.000000 0.572399 0.627452 Fe\n0.000000 0.880738 0.725569 Fe\n0.000000 0.274061 0.154653 Fe\n0.000000 0.844894 0.119312 Fe\n0.500000 0.951761 0.568770 Fe\n0.500000 0.431357 0.383173 Fe\n0.500000 0.616683 0.048131 Fe\n0.500000 0.120307 0.903071 Fe\n0.500000 0.096915 0.217361 Fe\n0.500000 0.782679 0.879540 Fe\n0.000000 0.113222 0.704206 P\n0.000000 0.295893 0.408894 P\n0.000000 0.591236 0.886877 P\n0.500000 0.709958 0.599225 P\n0.500000 0.400702 0.111215 P\n0.500000 0.889048 0.289921 P\n0.000000 0.000009 0.000020 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"P"
],
"chemical_system": "Fe-P-Tb",
"density": 7.890997722869648,
"density_atomic": 0.08282942012173171,
"volume": 253.53310416923097,
"volume_molar": 7.270533526794533,
"formula_full": "Tb2 Fe12 P7",
"formula_reduced": "Tb2Fe12P7",
"formula_anonymous": "A2B7C12",
"energy": -163.54035973,
"energy_per_atom": -7.7876361776190475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.54035973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2301065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.763000Z",
"spacegroup": 174
}
]
}