Al2Cl3
Alexandria ALEXAlex-ID: agm005507293 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_719_spg43
AlCl3 Al
2023-03-19 16:30:51.699003
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507293).
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 agm005507293
data_agm005507293
_cell_length_a 13.40931
_cell_length_b 12.71679
_cell_length_c 5.63065
_cell_angle_alpha 84.54604
_cell_angle_beta 70.74527
_cell_angle_gamma 24.70869
_cell_volume 324.03575
_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 0.73846 0.26142 0.56562 1.00000
Al2 Al 0.43450 0.56562 0.26142 1.00000
Al3 Al 0.98858 0.51154 0.81550 1.00000
Al4 Al 0.68438 0.81550 0.51154 1.00000
Cl1 Cl 0.51818 0.62065 0.48175 1.00000
Cl2 Cl 0.37941 0.48175 0.62065 1.00000
Cl3 Cl 0.62935 0.73182 0.87059 1.00000
Cl4 Cl 0.76825 0.87059 0.73182 1.00000
Cl5 Cl 0.92944 0.07056 0.07056 1.00000
Cl6 Cl 0.17944 0.32056 0.32056 1.00000
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