Ho6CuRu5
Alexandria ALEXAlex-ID: agm034998716 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_112_spg2
Ho4Ru3 Ho3CuRu2 HoRu2
2024-10-03 18:36:04.218672
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034998716).
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 agm034998716
data_agm034998716
_cell_length_a 3.40741
_cell_length_b 7.58222
_cell_length_c 9.61105
_cell_angle_alpha 71.55067
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 235.54643
_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 0.00000 0.34210 0.41325 1.00000
Ho2 Ho 0.00000 0.66444 0.08239 1.00000
Ho3 Ho 0.00000 0.65790 0.58675 1.00000
Ho4 Ho 0.00000 0.00123 0.75696 1.00000
Ho5 Ho 0.00000 0.99877 0.24304 1.00000
Ho6 Ho 0.00000 0.33556 0.91761 1.00000
Cu1 Cu 0.50000 0.00000 0.50000 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.50000 0.33427 0.66530 1.00000
Ru3 Ru 0.50000 0.66573 0.33470 1.00000
Ru4 Ru 0.50000 0.32811 0.17000 1.00000
Ru5 Ru 0.50000 0.67189 0.83000 1.00000
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