AcY5Au6
Alexandria ALEXAlex-ID: agm006136397 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
YAu AcAu
2023-09-11 11:44:29.696759
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136397).
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 agm006136397
data_agm006136397
_cell_length_a 5.17887
_cell_length_b 7.28022
_cell_length_c 8.25347
_cell_angle_alpha 89.99908
_cell_angle_beta 108.49967
_cell_angle_gamma 89.99995
_cell_volume 295.10316
_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 0.66459 0.50001 0.33081 1.00000
Y2 Y 0.33084 1.00000 0.66070 1.00000
Y3 Y 0.00000 0.50000 0.00000 1.00000
Y4 Y 0.66916 0.00000 0.33930 1.00000
Y5 Y 0.33541 0.49999 0.66919 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.82706 0.74181 0.65086 1.00000
Au2 Au 0.82706 0.25818 0.65086 1.00000
Au3 Au 0.50001 0.27167 0.00001 1.00000
Au4 Au 0.49999 0.72833 0.99999 1.00000
Au5 Au 0.17294 0.74182 0.34914 1.00000
Au6 Au 0.17294 0.25819 0.34914 1.00000
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