Ce3ZnRu2
Alexandria ALEXAlex-ID: agm005799366 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1433_spg44
Ce3ZnRu2
2023-08-25 12:26:49.421708
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005799366).
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 agm005799366
data_agm005799366
_cell_length_a 4.59303
_cell_length_b 4.16588
_cell_length_c 7.51156
_cell_angle_alpha 106.09123
_cell_angle_beta 107.80072
_cell_angle_gamma 89.99990
_cell_volume 130.91863
_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 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.81611 0.31611 0.63215 1.00000
Ce3 Ce 0.18389 0.68389 0.36785 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.35750 0.85748 0.71494 1.00000
Ru2 Ru 0.64250 0.14252 0.28506 1.00000
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