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{
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{
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"structure_string": "Tb6 Ta2 O14\n1.0\n3.771880 -5.300727 0.000000\n3.771880 5.300727 0.000000\n0.000000 0.000000 7.524955\nTb Ta O\n6 2 14\ndirect\n0.465020 0.999814 0.254639 Tb\n0.000186 0.534980 0.245361 Tb\n0.473416 0.473416 0.000000 Tb\n0.526584 0.526584 0.500000 Tb\n0.534980 0.000186 0.754639 Tb\n0.999814 0.465020 0.745361 Tb\n0.002535 0.002535 0.500000 Ta\n0.997465 0.997465 0.000000 Ta\n0.933780 0.066220 0.750000 O\n0.637987 0.362013 0.750000 O\n0.312554 0.058176 0.538088 O\n0.941824 0.687446 0.961912 O\n0.629354 0.370646 0.250000 O\n0.919739 0.674796 0.527660 O\n0.325204 0.080261 0.972340 O\n0.080261 0.325204 0.027660 O\n0.674796 0.919739 0.472340 O\n0.370646 0.629354 0.750000 O\n0.687446 0.941824 0.038088 O\n0.058176 0.312554 0.461912 O\n0.362013 0.637987 0.250000 O\n0.066220 0.933780 0.250000 O\n",
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{
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{
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"id": "mp-1187319",
"created_at": "2022-09-04T14:47:01.551676Z",
"structure_string": "Tb6 Sm2\n1.0\n3.628474 -6.284701 0.000000\n3.628474 6.284701 0.000000\n0.000000 0.000000 5.809869\nTb Sm\n6 2\ndirect\n0.165924 0.331847 0.250000 Tb\n0.668153 0.834076 0.250000 Tb\n0.165924 0.834076 0.250000 Tb\n0.834076 0.668153 0.750000 Tb\n0.331847 0.165924 0.750000 Tb\n0.834076 0.165924 0.750000 Tb\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Sm"
],
"chemical_system": "Sm-Tb",
"density": 7.860241463321685,
"density_atomic": 0.03019152256743633,
"volume": 264.9750433132697,
"volume_molar": 19.946462608995084,
"formula_full": "Tb6 Sm2",
"formula_reduced": "Tb3Sm",
"formula_anonymous": "AB3",
"energy": -37.07059913,
"energy_per_atom": -4.63382489125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.07059913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.254000Z",
"spacegroup": 194
}
]
}