SrLiCl3
Alexandria ALEXAlex-ID: agm005731473 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_536_spg15
LiCl SrCl2
2023-07-04 13:54:43.710513
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005731473).
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 agm005731473
data_agm005731473
_cell_length_a 7.33119
_cell_length_b 8.85326
_cell_length_c 8.85326
_cell_angle_alpha 79.41469
_cell_angle_beta 78.17883
_cell_angle_gamma 78.17885
_cell_volume 544.44785
_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
Sr1 Sr 0.25000 0.90502 0.09498 1.00000
Sr2 Sr 0.75000 0.09498 0.90502 1.00000
Sr3 Sr 0.25000 0.34451 0.65549 1.00000
Sr4 Sr 0.75000 0.65549 0.34451 1.00000
Li1 Li 0.74247 0.61410 0.79662 1.00000
Li2 Li 0.75753 0.20338 0.38590 1.00000
Li3 Li 0.25753 0.38590 0.20338 1.00000
Li4 Li 0.24247 0.79662 0.61410 1.00000
Cl1 Cl 0.64514 0.77964 0.99490 1.00000
Cl2 Cl 0.85486 0.00510 0.22036 1.00000
Cl3 Cl 0.35486 0.22036 0.00510 1.00000
Cl4 Cl 0.14514 0.99490 0.77964 1.00000
Cl5 Cl 0.90010 0.36944 0.89101 1.00000
Cl6 Cl 0.59990 0.10899 0.63056 1.00000
Cl7 Cl 0.09990 0.63056 0.10899 1.00000
Cl8 Cl 0.40010 0.89101 0.36944 1.00000
Cl9 Cl 0.49102 0.57987 0.67559 1.00000
Cl10 Cl 0.00898 0.32441 0.42013 1.00000
Cl11 Cl 0.50898 0.42013 0.32441 1.00000
Cl12 Cl 0.99102 0.67559 0.57987 1.00000
