Ce2DyRu3
Alexandria ALEXAlex-ID: agm005708950 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_391_spg164
Ce(DyRu)2 DyRu2 CeRu
2023-08-29 22:18:28.815515
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708950).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005708950
data_agm005708950
_cell_length_a 4.77156
_cell_length_b 4.76469
_cell_length_c 12.38127
_cell_angle_alpha 90.00620
_cell_angle_beta 89.96787
_cell_angle_gamma 119.93247
_cell_volume 243.94170
_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 0.50000 1.00000
Ce2 Ce 0.33293 0.66652 0.16941 1.00000
Ce3 Ce 0.66707 0.33348 0.83059 1.00000
Ce4 Ce 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.33357 0.66675 0.66567 1.00000
Dy2 Dy 0.66643 0.33325 0.33433 1.00000
Ru1 Ru 0.33233 0.66631 0.42522 1.00000
Ru2 Ru 0.66530 0.33284 0.09035 1.00000
Ru3 Ru 0.99953 0.99983 0.76058 1.00000
Ru4 Ru 0.00047 0.00017 0.23942 1.00000
Ru5 Ru 0.33470 0.66716 0.90965 1.00000
Ru6 Ru 0.66767 0.33369 0.57478 1.00000
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