Tb5CeHo3
Alexandria ALEXAlex-ID: agm003565261 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_221_spg12
Tb2Ho7 Tb2Ho Ce
2022-03-24 21:21:00.539771
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003565261).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm003565261
data_agm003565261
_cell_length_a 8.06153
_cell_length_b 8.06153
_cell_length_c 11.37239
_cell_angle_alpha 70.01674
_cell_angle_beta 70.01674
_cell_angle_gamma 89.90193
_cell_volume 647.19121
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb1 Tb 0.94737 0.43254 0.36568 1.00000
Tb2 Tb 0.26686 0.73314 0.00000 1.00000
Tb3 Tb 0.68245 0.68245 0.07514 1.00000
Tb4 Tb 0.48523 0.48523 0.37871 1.00000
Tb5 Tb 0.51477 0.51477 0.62129 1.00000
Tb6 Tb 0.31755 0.31755 0.92486 1.00000
Tb7 Tb 0.43254 0.94737 0.36568 1.00000
Tb8 Tb 0.73314 0.26686 0.00000 1.00000
Tb9 Tb 0.05263 0.56746 0.63432 1.00000
Tb10 Tb 0.56746 0.05263 0.63432 1.00000
Ce1 Ce 0.91309 0.91309 0.79624 1.00000
Ce2 Ce 0.08691 0.08691 0.20376 1.00000
Ho1 Ho 0.65316 0.65316 0.79490 1.00000
Ho2 Ho 0.79760 0.79760 0.35015 1.00000
Ho3 Ho 0.00000 0.00000 0.00000 1.00000
Ho4 Ho 0.00000 0.00000 0.50000 1.00000
Ho5 Ho 0.34684 0.34684 0.20510 1.00000
Ho6 Ho 0.20240 0.20240 0.64985 1.00000
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