MnHg3F8
Alexandria ALEXAlex-ID: agm005996618 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_333_spg8
HgF2 MnF2
2023-09-08 02:57:09.293018
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996618).
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 agm005996618
data_agm005996618
_cell_length_a 4.32914
_cell_length_b 7.37257
_cell_length_c 7.32467
_cell_angle_alpha 98.58062
_cell_angle_beta 107.18860
_cell_angle_gamma 89.99999
_cell_volume 220.59870
_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
Mn1 Mn 0.28895 0.68557 0.57790 1.00000
Hg1 Hg 0.44516 0.19177 0.89031 1.00000
Hg2 Hg 0.72257 0.26555 0.44513 1.00000
Hg3 Hg 0.58878 0.72073 0.17756 1.00000
F1 F 0.42975 0.65404 0.85949 1.00000
F2 F 0.32317 0.97935 0.64634 1.00000
F3 F 0.88244 0.26268 0.76488 1.00000
F4 F 0.24797 0.38547 0.49595 1.00000
F5 F 0.75897 0.65932 0.51794 1.00000
F6 F 0.14273 0.73409 0.28546 1.00000
F7 F 0.57366 0.39280 0.14732 1.00000
F8 F 0.59415 0.03830 0.18829 1.00000
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