SrLiIBr2
Alexandria ALEXAlex-ID: agm004998620 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1871_spg11
SrI2 LiBr SrBr2
2022-07-04 11:58:40.655815
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004998620).
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 agm004998620
data_agm004998620
_cell_length_a 4.81762
_cell_length_b 8.16681
_cell_length_c 9.87335
_cell_angle_alpha 87.38212
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 388.05720
_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 0.75000 0.24949 0.60044 1.00000
Sr2 Sr 0.25000 0.75051 0.39956 1.00000
Li1 Li 0.25000 0.06126 0.89969 1.00000
Li2 Li 0.75000 0.93874 0.10031 1.00000
I1 I 0.75000 0.49168 0.31779 1.00000
I2 I 0.25000 0.50832 0.68221 1.00000
Br1 Br 0.75000 0.17608 0.92300 1.00000
Br2 Br 0.25000 0.82392 0.07700 1.00000
Br3 Br 0.25000 0.00663 0.64562 1.00000
Br4 Br 0.75000 0.99337 0.35438 1.00000
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