CsSrI3
Alexandria ALEXAlex-ID: agm002189477 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_11_spg63
CsSrI3
2018-06-10 02:33:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002189477).
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 agm002189477
data_agm002189477
_cell_length_a 4.87722
_cell_length_b 8.56898
_cell_length_c 12.46843
_cell_angle_alpha 90.00002
_cell_angle_beta 90.00000
_cell_angle_gamma 106.52470
_cell_volume 499.56839
_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
Cs1 Cs 0.25295 0.50707 0.00915 1.00000
Cs2 Cs 0.74705 0.49293 0.50915 1.00000
I1 I 0.36706 0.73403 0.71069 1.00000
I2 I 0.63294 0.26597 0.21069 1.00000
I3 I 0.36709 0.73407 0.30849 1.00000
I4 I 0.63291 0.26593 0.80849 1.00000
I5 I 0.93646 0.87404 0.00969 1.00000
I6 I 0.06354 0.12596 0.50969 1.00000
Sr1 Sr 0.99996 0.99993 0.75968 1.00000
Sr2 Sr 0.00005 0.00007 0.25968 1.00000
