Ce3Cu2Ru
Alexandria ALEXAlex-ID: agm016367889 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_229_spg2
CeCu Ce16Ru9 CeCu2
2025-04-14 22:23:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016367889).
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 agm016367889
data_agm016367889
_cell_length_a 5.11116
_cell_length_b 6.88438
_cell_length_c 7.56281
_cell_angle_alpha 90.00000
_cell_angle_beta 110.28357
_cell_angle_gamma 90.00000
_cell_volume 249.61169
_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 0.13294 0.25688 0.35792 1.00000
Ce2 Ce 0.48343 0.74901 0.99545 1.00000
Ce3 Ce 0.88314 0.73261 0.64392 1.00000
Ce4 Ce 0.13294 0.74312 0.35792 1.00000
Ce5 Ce 0.88314 0.26739 0.64392 1.00000
Ce6 Ce 0.48343 0.25099 0.99545 1.00000
Cu1 Cu 0.98378 0.50000 0.00464 1.00000
Cu2 Cu 0.97130 0.00000 0.98913 1.00000
Cu3 Cu 0.59237 0.00000 0.33654 1.00000
Cu4 Cu 0.44635 0.00000 0.67228 1.00000
Ru1 Ru 0.57294 0.50000 0.30003 1.00000
Ru2 Ru 0.42954 0.50000 0.69197 1.00000
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