Ce5(GaRh)2
Alexandria ALEXAlex-ID: agm010064243 · 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
A2B2C5_534_spg69
Ce5(Ga2Rh)2 Ce2Ga CeRh
2024-03-25 16:26:22.167591
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010064243).
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 agm010064243
data_agm010064243
_cell_length_a 5.44286
_cell_length_b 5.44286
_cell_length_c 7.59010
_cell_angle_alpha 71.09915
_cell_angle_beta 71.09915
_cell_angle_gamma 76.17347
_cell_volume 198.99049
_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 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.37433 0.79841 0.26951 1.00000
Ce3 Ce 0.79841 0.37433 0.26951 1.00000
Ce4 Ce 0.62567 0.20159 0.73049 1.00000
Ce5 Ce 0.20159 0.62567 0.73049 1.00000
Ga1 Ga 0.77226 0.77226 0.49538 1.00000
Ga2 Ga 0.22774 0.22774 0.50462 1.00000
Rh1 Rh 0.67107 0.67107 0.88793 1.00000
Rh2 Rh 0.32893 0.32893 0.11207 1.00000
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