LiAgI3
Alexandria ALEXAlex-ID: agm003721998 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_79_spg36
AgI I LiI
2022-04-16 02:45:34.139873
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003721998).
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 agm003721998
data_agm003721998
_cell_length_a 4.52695
_cell_length_b 6.99582
_cell_length_c 11.04659
_cell_angle_alpha 90.00000
_cell_angle_beta 101.82379
_cell_angle_gamma 90.00000
_cell_volume 342.41959
_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 0.85222 0.96058 0.70444 1.00000
Li2 Li 0.14778 0.46058 0.29556 1.00000
Ag1 Ag 0.33727 0.49564 0.67454 1.00000
Ag2 Ag 0.66273 0.99564 0.32546 1.00000
I1 I 0.90375 0.32406 0.80751 1.00000
I2 I 0.09625 0.82406 0.19249 1.00000
I3 I 0.58695 0.31965 0.17390 1.00000
I4 I 0.41305 0.81965 0.82610 1.00000
I5 I 0.75079 0.69418 0.50159 1.00000
I6 I 0.24921 0.19418 0.49841 1.00000
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