Ho8Ag4F
Alexandria ALEXAlex-ID: agm097749320 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1733_spg38
Ho HoAg HoF3
2025-06-15 09:47:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097749320).
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 agm097749320
data_agm097749320
_cell_length_a 3.80489
_cell_length_b 9.89390
_cell_length_c 9.88927
_cell_angle_alpha 116.53821
_cell_angle_beta 90.04601
_cell_angle_gamma 89.95491
_cell_volume 333.05786
_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 0.76936 0.59479 0.86900 1.00000
Ho2 Ho 0.76979 0.19496 0.77520 1.00000
Ho3 Ho 0.76975 0.69051 0.27108 1.00000
Ho4 Ho 0.76949 0.08313 0.38147 1.00000
Ho5 Ho 0.26857 0.77770 0.68089 1.00000
Ho6 Ho 0.26915 0.38687 0.58795 1.00000
Ho7 Ho 0.26913 0.87769 0.07720 1.00000
Ho8 Ho 0.26885 0.29520 0.16588 1.00000
Ag1 Ag 0.76852 0.01098 0.94248 1.00000
Ag2 Ag 0.26976 0.46844 0.99824 1.00000
Ag3 Ag 0.27001 0.95563 0.51119 1.00000
Ag4 Ag 0.76842 0.51300 0.44708 1.00000
F1 F 0.26922 0.15111 0.29233 1.00000
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