CsSrI3
Alexandria ALEXAlex-ID: agm003147804 · 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
ABC3_3431_spg11
CsSrI3
2015-02-16 21:15:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003147804).
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 agm003147804
data_agm003147804
_cell_length_a 13.88751
_cell_length_b 4.94839
_cell_length_c 10.52017
_cell_angle_alpha 90.00441
_cell_angle_beta 47.08032
_cell_angle_gamma 90.00531
_cell_volume 529.42611
_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 0.96998 0.38257 0.65702 1.00000
Cs2 Cs 0.21872 0.88211 0.98528 1.00000
Sr1 Sr 0.43684 0.38101 0.32413 1.00000
Sr2 Sr 0.75203 0.88102 0.31782 1.00000
I1 I 0.95089 0.38116 0.05612 1.00000
I2 I 0.23803 0.88122 0.58579 1.00000
I3 I 0.66035 0.88097 0.08950 1.00000
I4 I 0.87902 0.88284 0.47953 1.00000
I5 I 0.52854 0.38099 0.55241 1.00000
I6 I 0.30975 0.38297 0.16255 1.00000
