HoAg2F8
Alexandria ALEXAlex-ID: agm005961324 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_139_spg164
Ag2F5 HoF3
2023-10-14 13:35:55.908632
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961324).
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 agm005961324
data_agm005961324
_cell_length_a 4.19585
_cell_length_b 6.98231
_cell_length_c 6.98188
_cell_angle_alpha 120.02459
_cell_angle_beta 89.99547
_cell_angle_gamma 90.00482
_cell_volume 177.09814
_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 0.00000 0.99999 1.00000
Ag1 Ag 0.26087 0.33330 0.66676 1.00000
Ag2 Ag 0.73913 0.66670 0.33322 1.00000
F1 F 0.23862 0.66669 0.33322 1.00000
F2 F 0.76138 0.33331 0.66675 1.00000
F3 F 0.73779 0.84356 0.15439 1.00000
F4 F 0.26221 0.15445 0.31088 1.00000
F5 F 0.26227 0.68915 0.84345 1.00000
F6 F 0.26221 0.15645 0.84560 1.00000
F7 F 0.73779 0.84554 0.68910 1.00000
F8 F 0.73773 0.31085 0.15655 1.00000
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