LiLuSe2
Alexandria ALEXAlex-ID: agm002158985 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_56_spg141
LiLuSe2
2018-05-29 19:03:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002158985).
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 agm002158985
data_agm002158985
_cell_length_a 5.59034
_cell_length_b 5.59035
_cell_length_c 6.96245
_cell_angle_alpha 66.32872
_cell_angle_beta 66.32846
_cell_angle_gamma 89.99955
_cell_volume 179.11442
_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
Lu1 Lu 0.00001 0.99999 1.00000 1.00000
Lu2 Lu 0.25002 0.74999 0.50000 1.00000
Se1 Se 0.75583 0.75580 0.48838 1.00000
Se2 Se 0.49421 0.99422 0.01160 1.00000
Se3 Se 0.00578 0.50580 0.98839 1.00000
Se4 Se 0.24420 0.24417 0.51162 1.00000
Li1 Li 0.75003 0.24997 0.49999 1.00000
Li2 Li 0.49993 0.50007 0.00001 1.00000
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