Ag4HgF12
Alexandria ALEXAlex-ID: agm099423409 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_420_spg123
Ag2F5 HgF2
2025-04-22 02:27:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099423409).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm099423409
data_agm099423409
_cell_length_a 4.16081
_cell_length_b 9.02280
_cell_length_c 8.42267
_cell_angle_alpha 97.25945
_cell_angle_beta 93.39486
_cell_angle_gamma 108.38246
_cell_volume 296.01188
_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
Ag1 Ag 0.24883 0.91944 0.01906 1.00000
Ag2 Ag 0.05646 0.53464 0.15136 1.00000
Ag3 Ag 0.24638 0.92523 0.51266 1.00000
Ag4 Ag 0.73025 0.43761 0.51815 1.00000
Hg1 Hg 0.34062 0.25836 0.83051 1.00000
F1 F 0.38808 0.15690 0.07110 1.00000
F2 F 0.10711 0.68005 0.97012 1.00000
F3 F 0.50394 0.21133 0.54832 1.00000
F4 F 0.75622 0.94005 0.51793 1.00000
F5 F 0.28392 0.98357 0.76342 1.00000
F6 F 0.44384 0.48307 0.68628 1.00000
F7 F 0.74875 0.92099 0.01323 1.00000
F8 F 0.54983 0.52593 0.14925 1.00000
F9 F 0.91650 0.34291 0.88985 1.00000
F10 F 0.96070 0.66199 0.50144 1.00000
F11 F 0.00265 0.39154 0.33837 1.00000
F12 F 0.21592 0.87640 0.26897 1.00000
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