Y8Rh2Au
Alexandria ALEXAlex-ID: agm006015509 · 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
AB2C8_1555_spg8
Y3Rh Y2Au
2023-10-01 21:31:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006015509).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006015509
data_agm006015509
_cell_length_a 5.85063
_cell_length_b 7.70201
_cell_length_c 7.70201
_cell_angle_alpha 113.23736
_cell_angle_beta 99.24329
_cell_angle_gamma 99.24329
_cell_volume 305.01736
_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
Y1 Y 0.57970 0.34249 0.08155 1.00000
Y2 Y 0.57970 0.08155 0.34249 1.00000
Y3 Y 0.17289 0.37306 0.37306 1.00000
Y4 Y 0.99003 0.23037 0.77460 1.00000
Y5 Y 0.99003 0.77460 0.23037 1.00000
Y6 Y 0.80402 0.63109 0.63109 1.00000
Y7 Y 0.39115 0.92681 0.66618 1.00000
Y8 Y 0.39115 0.66618 0.92681 1.00000
Rh1 Rh 0.48812 0.69606 0.31135 1.00000
Rh2 Rh 0.48812 0.31135 0.69606 1.00000
Au1 Au 0.12476 0.00036 0.00036 1.00000
获取直接链接