Ce2Cd3Rh2
Alexandria ALEXAlex-ID: agm008960005 · 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
A2B2C3_1679_spg2
CeCdRh CeCd2Rh
2025-06-27 04:59:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008960005).
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 agm008960005
data_agm008960005
_cell_length_a 5.20679
_cell_length_b 5.20679
_cell_length_c 7.27603
_cell_angle_alpha 85.48031
_cell_angle_beta 94.51969
_cell_angle_gamma 128.19413
_cell_volume 154.43307
_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 0.62959 0.37041 0.86922 1.00000
Ce2 Ce 0.37041 0.62959 0.13078 1.00000
Cd1 Cd 0.31408 0.68592 0.62535 1.00000
Cd2 Cd 0.00000 0.00000 0.50000 1.00000
Cd3 Cd 0.68592 0.31408 0.37465 1.00000
Rh1 Rh 0.10821 0.89179 0.14662 1.00000
Rh2 Rh 0.89179 0.10821 0.85338 1.00000
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