Rb2HgF5
Alexandria ALEXAlex-ID: agm003469372 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_469_spg107
Rb2HgF5
2022-03-23 16:31:04.204889
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469372).
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 agm003469372
data_agm003469372
_cell_length_a 6.56211
_cell_length_b 6.56208
_cell_length_c 6.18925
_cell_angle_alpha 122.01952
_cell_angle_beta 122.02663
_cell_angle_gamma 89.99265
_cell_volume 176.32777
_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
Rb1 Rb 0.24661 0.74667 0.49333 1.00000
Rb2 Rb 0.74669 0.24671 0.49333 1.00000
Hg1 Hg 0.99227 0.99228 0.98453 1.00000
F1 F 0.79011 0.24620 0.03623 1.00000
F2 F 0.24619 0.24622 0.03633 1.00000
F3 F 0.79023 0.79026 0.03648 1.00000
F4 F 0.24625 0.79018 0.03635 1.00000
F5 F 0.71865 0.71850 0.43742 1.00000
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