Al4Rh3
Alexandria ALEXAlex-ID: agm010133409 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_16_spg71
Al5Rh2 AlRh
2024-05-01 14:20:32.111567
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010133409).
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 agm010133409
data_agm010133409
_cell_length_a 2.93892
_cell_length_b 2.93896
_cell_length_c 11.97093
_cell_angle_alpha 90.01796
_cell_angle_beta 90.11307
_cell_angle_gamma 89.99987
_cell_volume 103.39724
_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 0.00376 0.00060 0.89020 1.00000
Al2 Al 0.99882 0.99982 0.36994 1.00000
Al3 Al 0.99624 0.99940 0.10980 1.00000
Al4 Al 0.00118 0.00018 0.63006 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.49778 0.49965 0.24106 1.00000
Rh3 Rh 0.50222 0.50035 0.75894 1.00000
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