LaAg2Cl
Alexandria ALEXAlex-ID: agm002814799 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_185_spg122
LaAg3 LaCl3
2016-01-11 16:31:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002814799).
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 agm002814799
data_agm002814799
_cell_length_a 8.72193
_cell_length_b 8.72193
_cell_length_c 6.77040
_cell_angle_alpha 49.90008
_cell_angle_beta 49.90008
_cell_angle_gamma 90.00000
_cell_volume 212.48856
_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
Cl1 Cl 0.50000 0.50000 0.00000 1.00000
Cl2 Cl 0.25000 0.75000 0.50000 1.00000
Ag1 Ag 0.61466 0.12500 0.25000 1.00000
Ag2 Ag 0.13534 0.62500 0.25000 1.00000
Ag3 Ag 0.37500 0.38534 0.75000 1.00000
Ag4 Ag 0.87500 0.86466 0.75000 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
La2 La 0.75000 0.25000 0.50000 1.00000
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