La3(GaAg2)2
Alexandria ALEXAlex-ID: agm005607254 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_272_spg12
LaGaAg LaAg2
2023-06-27 00:58:58.092742
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607254).
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 agm005607254
data_agm005607254
_cell_length_a 4.75823
_cell_length_b 6.06795
_cell_length_c 9.05786
_cell_angle_alpha 112.34126
_cell_angle_beta 89.99999
_cell_angle_gamma 113.08392
_cell_volume 219.08555
_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
La1 La 0.65982 0.31964 0.67051 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.34018 0.68036 0.32949 1.00000
Ga1 Ga 0.62311 0.24622 0.29200 1.00000
Ga2 Ga 0.37689 0.75378 0.70800 1.00000
Ag1 Ag 0.71411 0.42821 0.05743 1.00000
Ag2 Ag 0.28589 0.57179 0.94257 1.00000
Ag3 Ag 0.92551 0.85103 0.59929 1.00000
Ag4 Ag 0.07449 0.14897 0.40071 1.00000
获取直接链接