Tb5CeRh6
Alexandria ALEXAlex-ID: agm015278751 · 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
TbCeRh2 TbRh
2025-01-01 04:31:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015278751).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm015278751
data_agm015278751
_cell_length_a 8.41267
_cell_length_b 8.41267
_cell_length_c 7.38224
_cell_angle_alpha 77.44994
_cell_angle_beta 102.55006
_cell_angle_gamma 150.08885
_cell_volume 253.85507
_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 0.32236 0.67764 0.41009 1.00000
Tb2 Tb 0.67407 0.32593 0.08701 1.00000
Tb3 Tb 0.00000 0.00000 0.00000 1.00000
Tb4 Tb 0.32593 0.67407 0.91299 1.00000
Tb5 Tb 0.67764 0.32236 0.58991 1.00000
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.14099 0.85901 0.81781 1.00000
Rh2 Rh 0.13868 0.86132 0.32369 1.00000
Rh3 Rh 0.50068 0.49932 0.73502 1.00000
Rh4 Rh 0.49932 0.50068 0.26498 1.00000
Rh5 Rh 0.86132 0.13868 0.67631 1.00000
Rh6 Rh 0.85901 0.14099 0.18219 1.00000
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