LiCu5Rh
Alexandria ALEXAlex-ID: agm005752075 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_730_spg65
Li6CuRh5 LiRh3 Cu
2023-07-17 12:54:40.784466
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752075).
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 agm005752075
data_agm005752075
_cell_length_a 4.45366
_cell_length_b 4.45366
_cell_length_c 5.09602
_cell_angle_alpha 90.00131
_cell_angle_beta 90.00130
_cell_angle_gamma 109.43981
_cell_volume 95.31752
_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
Li1 Li 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.49999 0.99998 0.24638 1.00000
Cu2 Cu 0.99998 0.49999 0.24638 1.00000
Cu3 Cu 0.00000 0.00000 0.50000 1.00000
Cu4 Cu 0.00002 0.50001 0.75362 1.00000
Cu5 Cu 0.50001 0.00002 0.75362 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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