Cs5As4
Alexandria ALEXAlex-ID: agm002199191 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_25_spg12
Cs5As4
2018-10-07 18:15:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199191).
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 agm002199191
data_agm002199191
_cell_length_a 5.70580
_cell_length_b 7.08990
_cell_length_c 10.82779
_cell_angle_alpha 74.18901
_cell_angle_beta 74.72995
_cell_angle_gamma 66.26986
_cell_volume 379.89564
_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 0.11281 0.18011 0.59434 1.00000
Cs2 Cs 0.88719 0.81989 0.40566 1.00000
Cs3 Cs 0.75593 0.66190 0.82669 1.00000
Cs4 Cs 0.24407 0.33810 0.17331 1.00000
Cs5 Cs 0.00000 0.00000 0.00000 1.00000
As1 As 0.45695 0.28883 0.79733 1.00000
As2 As 0.54305 0.71117 0.20267 1.00000
As3 As 0.41205 0.57103 0.60494 1.00000
As4 As 0.58795 0.42897 0.39506 1.00000
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