Li4La3Cd4
Alexandria ALEXAlex-ID: agm005694873 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_25_spg71
Li4Cd LaCd
2023-07-02 00:52:25.744619
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694873).
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
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# CIF generated by HEAS from Alexandria entry agm005694873
data_agm005694873
_cell_length_a 3.39753
_cell_length_b 5.08763
_cell_length_c 16.26319
_cell_angle_alpha 81.02109
_cell_angle_beta 84.01326
_cell_angle_gamma 89.94753
_cell_volume 276.12180
_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
Li1 Li 0.59322 0.09327 0.81356 1.00000
Li2 Li 0.25909 0.25932 0.48130 1.00000
Li3 Li 0.74097 0.74074 0.51862 1.00000
Li4 Li 0.40678 0.90674 0.18648 1.00000
La1 La 0.14199 0.64218 0.71624 1.00000
La2 La 0.85804 0.35785 0.28375 1.00000
La3 La 0.99998 0.99998 0.00006 1.00000
Cd1 Cd 0.54982 0.54974 0.90111 1.00000
Cd2 Cd 0.45019 0.45027 0.09893 1.00000
Cd3 Cd 0.31313 0.81282 0.37359 1.00000
Cd4 Cd 0.68692 0.18723 0.62635 1.00000
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