AlAg2Au9
Alexandria ALEXAlex-ID: agm102056972 · 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
AB2C9_8_spg191
Al3Au8 AlAg2Au3 AgAu6
2025-05-18 10:50:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102056972).
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}
}
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# CIF generated by HEAS from Alexandria entry agm102056972
data_agm102056972
_cell_length_a 9.33923
_cell_length_b 9.33923
_cell_length_c 2.88402
_cell_angle_alpha 98.14792
_cell_angle_beta 81.85208
_cell_angle_gamma 67.42173
_cell_volume 224.56679
_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
Al1 Al 0.92662 0.07338 0.94552 1.00000
Ag1 Ag 0.69174 0.69373 0.86477 1.00000
Ag2 Ag 0.30627 0.30826 0.86477 1.00000
Au1 Au 0.90509 0.84627 0.34791 1.00000
Au2 Au 0.98310 0.51412 0.14087 1.00000
Au3 Au 0.49546 0.50454 0.90632 1.00000
Au4 Au 0.83417 0.34731 0.62054 1.00000
Au5 Au 0.15373 0.09491 0.34791 1.00000
Au6 Au 0.65269 0.16583 0.62054 1.00000
Au7 Au 0.19412 0.62134 0.59134 1.00000
Au8 Au 0.48588 0.01690 0.14087 1.00000
Au9 Au 0.37866 0.80588 0.59134 1.00000
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