Cs3(Cd2Au)2
Alexandria ALEXAlex-ID: agm005602731 · 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
A2B3C4_728_spg12
Cs5Au4 CsCd2Au Cs3Cd8
2023-06-26 20:16:10.606346
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602731).
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 agm005602731
data_agm005602731
_cell_length_a 4.98699
_cell_length_b 7.42872
_cell_length_c 11.99381
_cell_angle_alpha 58.62960
_cell_angle_beta 78.00078
_cell_angle_gamma 70.38758
_cell_volume 357.06738
_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 0.33044 0.68207 0.65705 1.00000
Cs2 Cs 0.00000 0.00000 0.00000 1.00000
Cs3 Cs 0.66956 0.31793 0.34295 1.00000
Cd1 Cd 0.28032 0.37322 0.06613 1.00000
Cd2 Cd 0.71968 0.62678 0.93387 1.00000
Cd3 Cd 0.05405 0.27106 0.62083 1.00000
Cd4 Cd 0.94595 0.72894 0.37917 1.00000
Au1 Au 0.39191 0.93898 0.27720 1.00000
Au2 Au 0.60809 0.06102 0.72280 1.00000
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