Y8HRu4
Alexandria ALEXAlex-ID: agm006523978 · 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
AB4C8_507_spg8
Y2Ru YH2 YRu2
2024-03-02 16:10:50.875472
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006523978).
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 agm006523978
data_agm006523978
_cell_length_a 6.87370
_cell_length_b 6.87370
_cell_length_c 7.11566
_cell_angle_alpha 75.30642
_cell_angle_beta 75.30642
_cell_angle_gamma 82.98003
_cell_volume 313.96640
_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
Y1 Y 0.09305 0.09305 0.19306 1.00000
Y2 Y 0.20938 0.60217 0.08659 1.00000
Y3 Y 0.60217 0.20938 0.08659 1.00000
Y4 Y 0.11252 0.11252 0.66542 1.00000
Y5 Y 0.58264 0.58264 0.62772 1.00000
Y6 Y 0.62165 0.08047 0.60309 1.00000
Y7 Y 0.08047 0.62165 0.60309 1.00000
Y8 Y 0.69349 0.69349 0.12220 1.00000
H1 H 0.76136 0.76136 0.76153 1.00000
Ru1 Ru 0.39935 0.39935 0.38058 1.00000
Ru2 Ru 0.39061 0.89641 0.38667 1.00000
Ru3 Ru 0.89641 0.39061 0.38667 1.00000
Ru4 Ru 0.31306 0.31306 0.84279 1.00000
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