CsSrI3
Alexandria ALEXAlex-ID: agm003147808 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6_spg140
CsSrI3
2016-04-05 15:56:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003147808).
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 agm003147808
data_agm003147808
_cell_length_a 8.77101
_cell_length_b 9.07986
_cell_length_c 9.10699
_cell_angle_alpha 59.98135
_cell_angle_beta 118.95576
_cell_angle_gamma 118.82880
_cell_volume 521.19019
_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
I1 I 0.18330 0.06175 0.45289 1.00000
I2 I 0.07008 0.59057 0.98080 1.00000
I3 I 0.61595 0.05254 0.00350 1.00000
I4 I 0.69687 0.94260 0.59848 1.00000
I5 I 0.15110 0.48069 0.57535 1.00000
I6 I 0.58310 0.47075 0.12622 1.00000
Sr1 Sr 0.38347 0.76641 0.78971 1.00000
Sr2 Sr 0.88339 0.26650 0.28954 1.00000
Cs1 Cs 0.14215 0.03913 0.01679 1.00000
Cs2 Cs 0.62446 0.49524 0.56080 1.00000
