HoZn(H3Ru)2
Alexandria ALEXAlex-ID: agm007708032 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1245_spg15
Zn2H4Ru HoH5Ru Zn3Ru Ru
2024-03-16 00:59:09.659449
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007708032).
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 agm007708032
data_agm007708032
_cell_length_a 6.10443
_cell_length_b 6.10443
_cell_length_c 5.45929
_cell_angle_alpha 93.05358
_cell_angle_beta 93.05358
_cell_angle_gamma 110.28726
_cell_volume 189.98503
_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
Ho1 Ho 0.36625 0.63375 0.75000 1.00000
Ho2 Ho 0.63375 0.36625 0.25000 1.00000
Zn1 Zn 0.82734 0.17266 0.75000 1.00000
Zn2 Zn 0.17266 0.82734 0.25000 1.00000
H1 H 0.33899 0.91990 0.54208 1.00000
H2 H 0.08010 0.66101 0.95792 1.00000
H3 H 0.66101 0.08010 0.45792 1.00000
H4 H 0.91990 0.33899 0.04208 1.00000
H5 H 0.32030 0.11481 0.93240 1.00000
H6 H 0.88519 0.67970 0.56760 1.00000
H7 H 0.67970 0.88519 0.06760 1.00000
H8 H 0.11481 0.32030 0.43240 1.00000
H9 H 0.48313 0.31794 0.62140 1.00000
H10 H 0.68206 0.51687 0.87860 1.00000
H11 H 0.51687 0.68206 0.37860 1.00000
H12 H 0.31794 0.48313 0.12140 1.00000
Ru1 Ru 0.11816 0.21601 0.12320 1.00000
Ru2 Ru 0.78399 0.88184 0.37680 1.00000
Ru3 Ru 0.88184 0.78399 0.87680 1.00000
Ru4 Ru 0.21601 0.11816 0.62320 1.00000
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