Ho8Ag4Ru3Pt
Alexandria ALEXAlex-ID: agm045106535 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_71_spg123
Ho2AgPt Ho2AgRu
2024-12-09 14:30:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045106535).
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 agm045106535
data_agm045106535
_cell_length_a 6.85495
_cell_length_b 6.85495
_cell_length_c 7.45219
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 350.18094
_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 0.24840 0.75160 0.72386 1.00000
Ho2 Ho 0.75160 0.75160 0.72386 1.00000
Ho3 Ho 0.75160 0.75160 0.27614 1.00000
Ho4 Ho 0.75160 0.24840 0.72386 1.00000
Ho5 Ho 0.24840 0.75160 0.27614 1.00000
Ho6 Ho 0.24840 0.24840 0.72386 1.00000
Ho7 Ho 0.24840 0.24840 0.27614 1.00000
Ho8 Ho 0.75160 0.24840 0.27614 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.00000 0.00000 1.00000
Ag3 Ag 0.50000 0.50000 0.00000 1.00000
Ag4 Ag 0.00000 0.50000 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
Ru2 Ru 0.50000 0.00000 0.50000 1.00000
Ru3 Ru 0.00000 0.50000 0.50000 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
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