Li3AgCl4
Alexandria ALEXAlex-ID: agm017392608 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_1_spg121
Li3AgCl4
2024-11-07 21:09:00.533945
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017392608).
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 agm017392608
data_agm017392608
_cell_length_a 6.92898
_cell_length_b 6.92898
_cell_length_c 6.92898
_cell_angle_alpha 131.88462
_cell_angle_beta 131.88462
_cell_angle_gamma 70.41132
_cell_volume 180.68658
_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 0.50000 0.50000 0.00000 1.00000
Li2 Li 0.75000 0.25000 0.50000 1.00000
Li3 Li 0.25000 0.75000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.39979 0.86538 0.00000 1.00000
Cl2 Cl 0.86538 0.39979 0.00000 1.00000
Cl3 Cl 0.13462 0.13462 0.53441 1.00000
Cl4 Cl 0.60021 0.60021 0.46559 1.00000
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