Dy(Cd2Au)2
Alexandria ALEXAlex-ID: agm025691306 · 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
AB2C4_27_spg166
DyCdAu2 Cd
2025-06-09 23:57:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025691306).
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 agm025691306
data_agm025691306
_cell_length_a 8.02274
_cell_length_b 8.02274
_cell_length_c 8.02274
_cell_angle_alpha 35.30182
_cell_angle_beta 35.30182
_cell_angle_gamma 35.30182
_cell_volume 154.05195
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.85985 0.85985 0.85985 1.00000
Cd2 Cd 0.14015 0.14015 0.14015 1.00000
Cd3 Cd 0.40898 0.40898 0.40898 1.00000
Cd4 Cd 0.59102 0.59102 0.59102 1.00000
Au1 Au 0.26862 0.26862 0.26862 1.00000
Au2 Au 0.73138 0.73138 0.73138 1.00000
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