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{
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{
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{
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"structure_string": "Pr2 Ge3 Ir3\n1.0\n5.972396 0.000000 0.000000\n0.000000 5.972396 0.000000\n0.000000 0.000000 19.577520\nPr Ge Ir\n2 3 3\ndirect\n0.500000 0.500000 0.763793 Pr\n0.500000 0.500000 0.236207 Pr\n0.500000 0.500000 0.381355 Ge\n0.500000 0.500000 0.618645 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.117893 Ir\n0.500000 0.500000 0.882107 Ir\n0.500000 0.500000 0.500000 Ir\n",
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{
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"structure_string": "Lu6 Fe4 Si6\n1.0\n2.015102 -5.136702 0.000000\n2.015102 5.136702 0.000000\n0.000000 0.000000 13.320838\nLu Fe Si\n6 4 6\ndirect\n0.638508 0.361492 0.250000 Lu\n0.361492 0.638508 0.750000 Lu\n0.922065 0.077935 0.113221 Lu\n0.077935 0.922065 0.886779 Lu\n0.077935 0.922065 0.613221 Lu\n0.922065 0.077935 0.386779 Lu\n0.785928 0.214072 0.581423 Fe\n0.214072 0.785928 0.418577 Fe\n0.214072 0.785928 0.081423 Fe\n0.785928 0.214072 0.918577 Fe\n0.329207 0.670793 0.250000 Si\n0.670793 0.329207 0.750000 Si\n0.621130 0.378870 0.038917 Si\n0.378870 0.621130 0.961083 Si\n0.378870 0.621130 0.538917 Si\n0.621130 0.378870 0.461083 Si\n",
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{
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.93436125,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0690786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.459000Z",
"spacegroup": 115
}
]
}