Ho3Pd2Ru
Alexandria ALEXAlex-ID: agm034014399 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2535_spg2
Ho2PdRu HoPd
2025-04-15 08:47:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034014399).
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 agm034014399
data_agm034014399
_cell_length_a 7.66298
_cell_length_b 7.66298
_cell_length_c 8.51100
_cell_angle_alpha 57.35848
_cell_angle_beta 122.64152
_cell_angle_gamma 143.01317
_cell_volume 247.31319
_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 0.58208 0.41792 0.24624 1.00000
Ho2 Ho 0.75113 0.24887 0.75940 1.00000
Ho3 Ho 0.41792 0.58208 0.75376 1.00000
Ho4 Ho 0.08821 0.91179 0.75751 1.00000
Ho5 Ho 0.91179 0.08821 0.24249 1.00000
Ho6 Ho 0.24887 0.75113 0.24060 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.50000 0.50000 0.50000 1.00000
Pd3 Pd 0.83165 0.16835 0.49655 1.00000
Pd4 Pd 0.16835 0.83165 0.50345 1.00000
Ru1 Ru 0.33477 0.66523 0.00136 1.00000
Ru2 Ru 0.66523 0.33477 0.99864 1.00000
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