Al3SbAu5
Alexandria ALEXAlex-ID: agm072736072 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1093_spg1
AlAu2 Sb2Au AlAu
2024-09-23 12:54:19.379807
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072736072).
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
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# CIF generated by HEAS from Alexandria entry agm072736072
data_agm072736072
_cell_length_a 6.65509
_cell_length_b 4.75192
_cell_length_c 6.14630
_cell_angle_alpha 92.29544
_cell_angle_beta 84.96507
_cell_angle_gamma 104.14571
_cell_volume 187.71760
_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 0.05004 0.63719 0.56292 1.00000
Al2 Al 0.44489 0.51046 0.61933 1.00000
Al3 Al 0.80784 0.03024 0.47992 1.00000
Sb1 Sb 0.48172 0.14233 0.97263 1.00000
Au1 Au 0.41589 0.96384 0.43450 1.00000
Au2 Au 0.74569 0.72877 0.86479 1.00000
Au3 Au 0.73004 0.47809 0.30674 1.00000
Au4 Au 0.09362 0.19513 0.75730 1.00000
Au5 Au 0.07795 0.91281 0.16836 1.00000
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