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{
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{
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{
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{
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"structure_string": "Lu3 Sn3 Ir3\n1.0\n3.767353 -6.525247 0.000000\n3.767353 6.525247 0.000000\n0.000000 0.000000 3.786250\nLu Sn Ir\n3 3 3\ndirect\n0.000000 0.401739 0.500000 Lu\n0.598261 0.598261 0.500000 Lu\n0.401739 0.000000 0.500000 Lu\n0.000000 0.735028 0.000000 Sn\n0.264972 0.264972 0.000000 Sn\n0.735028 0.000000 0.000000 Sn\n0.333333 0.666667 0.000000 Ir\n0.666667 0.333333 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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{
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"structure_string": "Sn6 Pt4\n1.0\n2.207026 -3.822681 0.000000\n2.207026 3.822681 0.000000\n0.000000 0.000000 13.210019\nSn Pt\n6 4\ndirect\n0.333333 0.666667 0.570720 Sn\n0.666667 0.333333 0.070720 Sn\n0.666667 0.333333 0.429280 Sn\n0.333333 0.666667 0.929280 Sn\n0.000000 0.000000 0.250000 Sn\n0.000000 0.000000 0.750000 Sn\n0.333333 0.666667 0.356607 Pt\n0.666667 0.333333 0.856607 Pt\n0.666667 0.333333 0.643393 Pt\n0.333333 0.666667 0.143393 Pt\n",
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{
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"structure_string": "Th10 Pb8\n1.0\n4.914194 -8.511634 0.000000\n4.914194 8.511634 0.000000\n0.000000 0.000000 6.647496\nTh Pb\n10 8\ndirect\n0.666667 0.333333 0.500000 Th\n0.333333 0.666667 0.500000 Th\n0.333333 0.666667 0.000000 Th\n0.666667 0.333333 0.000000 Th\n0.715813 0.715813 0.250000 Th\n0.284187 0.000000 0.250000 Th\n0.000000 0.284187 0.250000 Th\n0.284187 0.284187 0.750000 Th\n0.715813 0.000000 0.750000 Th\n0.000000 0.715813 0.750000 Th\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.377742 0.377742 0.250000 Pb\n0.622258 0.000000 0.250000 Pb\n0.000000 0.622258 0.250000 Pb\n0.622258 0.622258 0.750000 Pb\n0.377742 0.000000 0.750000 Pb\n0.000000 0.377742 0.750000 Pb\n",
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.14072188999998,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.496427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.768000Z",
"spacegroup": 194
}
]
}