ReOs5Rh3
Alexandria ALEXAlex-ID: agm072394469 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1449_spg1
ReRh8 ReRh2 Os
2024-09-25 22:51:11.118413
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072394469).
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 agm072394469
data_agm072394469
_cell_length_a 4.76715
_cell_length_b 4.76749
_cell_length_c 6.77344
_cell_angle_alpha 96.77364
_cell_angle_beta 96.77943
_cell_angle_gamma 120.03924
_cell_volume 129.49661
_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
Re1 Re 0.99730 0.10528 0.89154 1.00000
Os1 Os 0.10360 0.87719 0.21003 1.00000
Os2 Os 0.66322 0.43836 0.89224 1.00000
Os3 Os 0.43671 0.54472 0.20996 1.00000
Os4 Os 0.33039 0.77121 0.89223 1.00000
Os5 Os 0.76918 0.21161 0.21003 1.00000
Rh1 Rh 0.55207 0.99294 0.55423 1.00000
Rh2 Rh 0.88501 0.65999 0.55424 1.00000
Rh3 Rh 0.21616 0.32411 0.55109 1.00000
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