Cs4Ag3
Alexandria ALEXAlex-ID: agm005533992 · 空间群: P-3 (#147)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_35_spg147
Ag Cs
2023-05-28 10:15:56.499586
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005533992).
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 agm005533992
data_agm005533992
_cell_length_a 5.51370
_cell_length_b 15.02754
_cell_length_c 15.02755
_cell_angle_alpha 119.99996
_cell_angle_beta 89.99999
_cell_angle_gamma 90.00000
_cell_volume 1078.32520
_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 0.75243 0.76447 0.01044 1.00000
Cs2 Cs 0.75243 0.98956 0.75402 1.00000
Cs3 Cs 0.75243 0.24598 0.23553 1.00000
Cs4 Cs 0.24757 0.23553 0.98956 1.00000
Cs5 Cs 0.24757 0.01044 0.24598 1.00000
Cs6 Cs 0.24757 0.75402 0.76447 1.00000
Cs7 Cs 0.75033 0.61821 0.47670 1.00000
Cs8 Cs 0.75033 0.52330 0.14151 1.00000
Cs9 Cs 0.75033 0.85849 0.38179 1.00000
Cs10 Cs 0.24967 0.38179 0.52330 1.00000
Cs11 Cs 0.24967 0.47670 0.85849 1.00000
Cs12 Cs 0.24967 0.14151 0.61821 1.00000
Ag1 Ag 0.74954 0.33333 0.66667 1.00000
Ag2 Ag 0.25046 0.66667 0.33333 1.00000
Ag3 Ag 0.74802 0.28561 0.83119 1.00000
Ag4 Ag 0.74802 0.16881 0.45442 1.00000
Ag5 Ag 0.74802 0.54558 0.71439 1.00000
Ag6 Ag 0.25198 0.71439 0.16881 1.00000
Ag7 Ag 0.25198 0.83119 0.54558 1.00000
Ag8 Ag 0.25198 0.45442 0.28561 1.00000
Ag9 Ag 0.50000 0.00000 0.00000 1.00000
