Cs2Si4Au5
Alexandria ALEXAlex-ID: agm005659843 · 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
A2B4C5_339_spg12
CsSiAu2 CsSiAu3 Si
2023-06-24 08:29:56.546485
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659843).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005659843
data_agm005659843
_cell_length_a 7.15861
_cell_length_b 6.36024
_cell_length_c 8.82083
_cell_angle_alpha 73.55991
_cell_angle_beta 66.03616
_cell_angle_gamma 55.73664
_cell_volume 302.52260
_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 0.26733 0.81538 0.64981 1.00000
Cs2 Cs 0.73267 0.18462 0.35019 1.00000
Si1 Si 0.39600 0.05253 0.15487 1.00000
Si2 Si 0.60400 0.94747 0.84513 1.00000
Si3 Si 0.84686 0.50395 0.80250 1.00000
Si4 Si 0.15314 0.49605 0.19750 1.00000
Au1 Au 0.17576 0.27782 0.91493 1.00000
Au2 Au 0.82424 0.72218 0.08507 1.00000
Au3 Au 0.00000 0.50000 0.50000 1.00000
Au4 Au 0.63144 0.27799 0.91499 1.00000
Au5 Au 0.36856 0.72201 0.08501 1.00000
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