Al4CuOsRu2
Alexandria ALEXAlex-ID: agm034010384 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_43_spg5
Al4CuRu3 Al2Os Os Cu
2025-07-01 15:44:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034010384).
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 agm034010384
data_agm034010384
_cell_length_a 7.31926
_cell_length_b 7.31926
_cell_length_c 7.31926
_cell_angle_alpha 33.78567
_cell_angle_beta 33.78567
_cell_angle_gamma 33.78567
_cell_volume 108.04253
_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
Al1 Al 0.62260 0.62260 0.62260 1.00000
Al2 Al 0.12721 0.12721 0.12721 1.00000
Al3 Al 0.87279 0.87279 0.87279 1.00000
Al4 Al 0.37740 0.37740 0.37740 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.25459 0.25459 0.25459 1.00000
Ru2 Ru 0.74541 0.74541 0.74541 1.00000
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