Zn2FeF6
Alexandria ALEXAlex-ID: agm097230982 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1652_spg38
FeF2 ZnF2
2025-04-06 22:28:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097230982).
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 agm097230982
data_agm097230982
_cell_length_a 3.95452
_cell_length_b 4.01318
_cell_length_c 7.86190
_cell_angle_alpha 89.95256
_cell_angle_beta 75.49668
_cell_angle_gamma 90.01680
_cell_volume 120.79377
_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
Zn1 Zn 0.27038 0.05800 0.09596 1.00000
Zn2 Zn 0.60133 0.05500 0.43417 1.00000
Fe1 Fe 0.44727 0.55498 0.74721 1.00000
F1 F 0.30606 0.55791 0.02645 1.00000
F2 F 0.58506 0.55480 0.46921 1.00000
F3 F 0.46356 0.05477 0.71375 1.00000
F4 F 0.74815 0.05764 0.14088 1.00000
F5 F 0.94322 0.55216 0.75512 1.00000
F6 F 0.13497 0.05474 0.36725 1.00000
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