CsSrBi
Alexandria ALEXAlex-ID: agm003147682 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_1266_spg6
CsSrBi
2016-02-27 03:26:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003147682).
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 agm003147682
data_agm003147682
_cell_length_a 5.74858
_cell_length_b 8.68696
_cell_length_c 9.00720
_cell_angle_alpha 98.56371
_cell_angle_beta 89.62898
_cell_angle_gamma 48.56952
_cell_volume 330.11895
_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 0.92227 0.29793 0.47159 1.00000
Cs2 Cs 0.78084 0.44504 0.98594 1.00000
Sr1 Sr 0.76426 0.95949 0.06441 1.00000
Sr2 Sr 0.90418 0.81534 0.59335 1.00000
Bi1 Bi 0.20719 0.51549 0.25553 1.00000
Bi2 Bi 0.32788 0.88986 0.79339 1.00000
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