Cs3Sn2Au3
Alexandria ALEXAlex-ID: agm005579445 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_14_spg166
Cs3Sn4Au Cs4Sn2Au7 CsAu
2023-06-10 14:09:40.235113
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005579445).
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 agm005579445
data_agm005579445
_cell_length_a 8.47311
_cell_length_b 8.47311
_cell_length_c 8.47311
_cell_angle_alpha 48.90967
_cell_angle_beta 48.90967
_cell_angle_gamma 48.90967
_cell_volume 317.20300
_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 0.50000 0.50000 0.50000 1.00000
Cs2 Cs 0.08276 0.08276 0.08276 1.00000
Cs3 Cs 0.91724 0.91724 0.91724 1.00000
Sn1 Sn 0.74656 0.74656 0.74656 1.00000
Sn2 Sn 0.25344 0.25344 0.25344 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.50000 0.00000 0.50000 1.00000
Au3 Au 0.00000 0.50000 0.50000 1.00000
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