Tb5DyBi6
Alexandria ALEXAlex-ID: agm033533780 · 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
AB5C6_53_spg71
Tb3DyBi4 TbBi
2025-01-25 07:55:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033533780).
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 agm033533780
data_agm033533780
_cell_length_a 10.02604
_cell_length_b 10.02604
_cell_length_c 8.97405
_cell_angle_alpha 77.06382
_cell_angle_beta 102.93618
_cell_angle_gamma 154.13158
_cell_volume 383.06141
_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 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.83310 0.16690 0.16669 1.00000
Tb3 Tb 0.16690 0.83310 0.83331 1.00000
Tb4 Tb 0.83349 0.16651 0.66685 1.00000
Tb5 Tb 0.16651 0.83349 0.33315 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.33370 0.66630 0.91699 1.00000
Bi2 Bi 0.66671 0.33329 0.58321 1.00000
Bi3 Bi 0.66630 0.33370 0.08301 1.00000
Bi4 Bi 0.99983 0.00017 0.24918 1.00000
Bi5 Bi 0.00017 0.99983 0.75082 1.00000
Bi6 Bi 0.33329 0.66671 0.41679 1.00000
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