Ce3Zn5Ag6
Alexandria ALEXAlex-ID: agm017325045 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_4_spg71
Ce2Zn3Ag4 Ce3Zn9Ag2 Ag
2025-02-06 21:28:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017325045).
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 agm017325045
data_agm017325045
_cell_length_a 8.41832
_cell_length_b 8.41832
_cell_length_c 8.41832
_cell_angle_alpha 147.64075
_cell_angle_beta 114.96421
_cell_angle_gamma 74.52839
_cell_volume 284.48272
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.28966 0.28966 0.00000 1.00000
Ce3 Ce 0.71034 0.71034 0.00000 1.00000
Zn1 Zn 0.70014 0.34050 0.35965 1.00000
Zn2 Zn 0.29986 0.65950 0.64035 1.00000
Zn3 Zn 0.98085 0.34050 0.64035 1.00000
Zn4 Zn 0.01915 0.65950 0.35965 1.00000
Zn5 Zn 0.50000 0.00000 0.50000 1.00000
Ag1 Ag 0.67844 0.50000 0.17844 1.00000
Ag2 Ag 0.32156 0.50000 0.82156 1.00000
Ag3 Ag 0.42473 0.13779 0.28694 1.00000
Ag4 Ag 0.57527 0.86221 0.71306 1.00000
Ag5 Ag 0.85085 0.13779 0.71306 1.00000
Ag6 Ag 0.14915 0.86221 0.28694 1.00000
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