Dy3Y(CoRu)4
Alexandria ALEXAlex-ID: agm020707362 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D4_20_spg8
DyCo3 Dy4Ru3 YRu2 DyRu2
2025-03-11 03:22:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020707362).
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 agm020707362
data_agm020707362
_cell_length_a 5.22502
_cell_length_b 5.22502
_cell_length_c 9.05890
_cell_angle_alpha 72.31086
_cell_angle_beta 107.68914
_cell_angle_gamma 120.62591
_cell_volume 199.37597
_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 0.87413 0.12587 0.62557 1.00000
Dy2 Dy 0.37415 0.62585 0.12514 1.00000
Dy3 Dy 0.00040 0.99960 0.99968 1.00000
Y1 Y 0.50016 0.49984 0.49982 1.00000
Co1 Co 0.18744 0.81256 0.56261 1.00000
Co2 Co 0.68728 0.31272 0.06242 1.00000
Co3 Co 0.43733 0.56267 0.81289 1.00000
Co4 Co 0.93723 0.06277 0.31197 1.00000
Ru1 Ru 0.93775 0.56275 0.81282 1.00000
Ru2 Ru 0.43718 0.06300 0.31212 1.00000
Ru3 Ru 0.43725 0.06225 0.81282 1.00000
Ru4 Ru 0.93700 0.56282 0.31212 1.00000
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