Ac6GaAu5
Alexandria ALEXAlex-ID: agm006100202 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_55_spg71
AcGa AcAu
2023-08-26 22:45:48.297015
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100202).
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 agm006100202
data_agm006100202
_cell_length_a 5.51374
_cell_length_b 9.59012
_cell_length_c 9.59012
_cell_angle_alpha 119.91279
_cell_angle_beta 106.67557
_cell_angle_gamma 106.67555
_cell_volume 360.18809
_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
Ac1 Ac 0.25106 0.08355 0.41885 1.00000
Ac2 Ac 0.74894 0.58115 0.91645 1.00000
Ac3 Ac 0.75394 0.25396 0.25396 1.00000
Ac4 Ac 0.24606 0.74604 0.74604 1.00000
Ac5 Ac 0.25106 0.41885 0.08355 1.00000
Ac6 Ac 0.74894 0.91645 0.58115 1.00000
Au1 Au 0.50000 0.16049 0.83951 1.00000
Au2 Au 0.00000 0.33292 0.66708 1.00000
Au3 Au 0.50000 0.50000 0.50000 1.00000
Au4 Au 1.00000 0.66708 0.33292 1.00000
Au5 Au 0.50000 0.83951 0.16049 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
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