Ce3Si3Rh
Alexandria ALEXAlex-ID: agm045422892 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_599_spg44
Ce2Si3Rh Ce3(SiRh)2 CeSi
2025-05-28 18:27:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045422892).
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 agm045422892
data_agm045422892
_cell_length_a 9.56158
_cell_length_b 9.56158
_cell_length_c 4.07943
_cell_angle_alpha 77.77034
_cell_angle_beta 102.22966
_cell_angle_gamma 155.17448
_cell_volume 152.86038
_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
Ce1 Ce 0.81437 0.18563 0.31565 1.00000
Ce2 Ce 0.18793 0.81207 0.68698 1.00000
Ce3 Ce 0.99812 0.00188 0.99846 1.00000
Si1 Si 0.63973 0.36027 0.13898 1.00000
Si2 Si 0.35939 0.64061 0.86062 1.00000
Si3 Si 0.56472 0.43528 0.56454 1.00000
Rh1 Rh 0.43415 0.56585 0.43477 1.00000
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