Y2CuHAu
Alexandria ALEXAlex-ID: agm007638508 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1539_spg11
YH2 YCu2 YAu
2024-07-09 22:50:19.711433
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007638508).
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 agm007638508
data_agm007638508
_cell_length_a 4.09630
_cell_length_b 6.31682
_cell_length_c 7.96746
_cell_angle_alpha 65.84076
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 188.10497
_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 0.75000 0.77995 0.41664 1.00000
Y2 Y 0.75000 0.25739 0.94068 1.00000
Y3 Y 0.25000 0.22005 0.58336 1.00000
Y4 Y 0.25000 0.74261 0.05932 1.00000
Cu1 Cu 0.25000 0.13319 0.23501 1.00000
Cu2 Cu 0.75000 0.86681 0.76499 1.00000
H1 H 0.25000 0.11966 0.89107 1.00000
H2 H 0.75000 0.88034 0.10893 1.00000
Au1 Au 0.25000 0.63498 0.71059 1.00000
Au2 Au 0.75000 0.36502 0.28941 1.00000
获取直接链接