AcPmAu4
Alexandria ALEXAlex-ID: agm005778177 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1118_spg47
PmAu2 AcAu2
2023-07-31 02:02:32.077068
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778177).
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 agm005778177
data_agm005778177
_cell_length_a 3.75987
_cell_length_b 4.87718
_cell_length_c 8.18280
_cell_angle_alpha 90.00161
_cell_angle_beta 89.99926
_cell_angle_gamma 90.00047
_cell_volume 150.05245
_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 0.99859 0.99728 0.49814 1.00000
Pm1 Pm 0.99858 0.49729 0.99814 1.00000
Au1 Au 0.49858 0.99727 0.16392 1.00000
Au2 Au 0.49855 0.99731 0.83237 1.00000
Au3 Au 0.49861 0.49730 0.67165 1.00000
Au4 Au 0.49861 0.49728 0.32461 1.00000
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