CuH6Ru
Alexandria ALEXAlex-ID: agm079231675 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_2209_spg44
H8Ru3 CuH4 Ru
2025-06-25 19:37:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079231675).
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 agm079231675
data_agm079231675
_cell_length_a 4.86344
_cell_length_b 3.00346
_cell_length_c 4.17650
_cell_angle_alpha 88.06310
_cell_angle_beta 110.80500
_cell_angle_gamma 101.77591
_cell_volume 55.77858
_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
Cu1 Cu 0.58534 0.85352 0.84467 1.00000
H1 H 0.85689 0.81301 0.23676 1.00000
H2 H 0.08048 0.38192 0.32403 1.00000
H3 H 0.91339 0.82482 0.80275 1.00000
H4 H 0.22088 0.91663 0.61022 1.00000
H5 H 0.33654 0.47996 0.04591 1.00000
H6 H 0.56267 0.05738 0.44001 1.00000
Ru1 Ru 0.19381 0.92276 0.19564 1.00000
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