Ac16Rh5Au3
Alexandria ALEXAlex-ID: agm008460197 · 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
A3B5C16_9_spg8
Ac7Au3 Ac2Rh AcAu
2024-05-03 11:11:20.076126
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008460197).
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 agm008460197
data_agm008460197
_cell_length_a 8.81376
_cell_length_b 8.81376
_cell_length_c 14.14132
_cell_angle_alpha 89.94714
_cell_angle_beta 89.94714
_cell_angle_gamma 58.42772
_cell_volume 935.92649
_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 0.33317 0.84599 0.40680 1.00000
Ac2 Ac 0.50829 0.50829 0.65817 1.00000
Ac3 Ac 0.65766 0.65766 0.90178 1.00000
Ac4 Ac 0.00635 0.00635 0.66724 1.00000
Ac5 Ac 0.01514 0.01514 0.15934 1.00000
Ac6 Ac 0.84599 0.33317 0.40680 1.00000
Ac7 Ac 0.49200 0.97839 0.65750 1.00000
Ac8 Ac 0.97839 0.49200 0.65750 1.00000
Ac9 Ac 0.16669 0.16669 0.90371 1.00000
Ac10 Ac 0.83074 0.83074 0.42450 1.00000
Ac11 Ac 0.01925 0.48807 0.15305 1.00000
Ac12 Ac 0.48807 0.01925 0.15305 1.00000
Ac13 Ac 0.31954 0.31954 0.40803 1.00000
Ac14 Ac 0.17879 0.67229 0.90843 1.00000
Ac15 Ac 0.49107 0.49107 0.14963 1.00000
Ac16 Ac 0.67229 0.17879 0.90843 1.00000
Rh1 Rh 0.33175 0.83233 0.78366 1.00000
Rh2 Rh 0.66304 0.66304 0.52787 1.00000
Rh3 Rh 0.83233 0.33175 0.78366 1.00000
Rh4 Rh 0.16925 0.16925 0.27942 1.00000
Rh5 Rh 0.33598 0.33598 0.02538 1.00000
Au1 Au 0.83186 0.83186 0.78546 1.00000
Au2 Au 0.16136 0.67114 0.28754 1.00000
Au3 Au 0.67114 0.16136 0.28754 1.00000
