Dy3B8Ru3
Alexandria ALEXAlex-ID: agm003375892 · 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
A3B3C8_26_spg71
Dy2B6Ru Dy(BRu)2
2022-02-08 23:31:33.686077
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003375892).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003375892
data_agm003375892
_cell_length_a 3.26600
_cell_length_b 7.33635
_cell_length_c 7.33635
_cell_angle_alpha 79.10954
_cell_angle_beta 77.13878
_cell_angle_gamma 77.13878
_cell_volume 165.26718
_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 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.79127 0.20873 0.20873 1.00000
Dy3 Dy 0.20873 0.79127 0.79127 1.00000
B1 B 0.63969 0.06777 0.65285 1.00000
B2 B 0.36031 0.93223 0.34715 1.00000
B3 B 0.63969 0.65285 0.06777 1.00000
B4 B 0.36031 0.34715 0.93223 1.00000
B5 B 0.80284 0.90455 0.48978 1.00000
B6 B 0.19716 0.09545 0.51022 1.00000
B7 B 0.80284 0.48978 0.90455 1.00000
B8 B 0.19716 0.51022 0.09545 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.75778 0.24222 1.00000
Ru3 Ru 0.00000 0.24222 0.75778 1.00000
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