AgAuF6
Alexandria ALEXAlex-ID: agm080952562 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_228_spg166
AgAuF6
2025-02-25 14:46:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080952562).
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 agm080952562
data_agm080952562
_cell_length_a 5.38692
_cell_length_b 5.91670
_cell_length_c 5.40214
_cell_angle_alpha 101.80912
_cell_angle_beta 122.04297
_cell_angle_gamma 101.59622
_cell_volume 132.54258
_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 0.58448 0.31292 0.91589 1.00000
Au1 Au 0.77563 0.81240 0.72435 1.00000
F1 F 0.68393 0.58094 0.33391 1.00000
F2 F 0.55417 0.01864 0.51604 1.00000
F3 F 0.85742 0.05235 0.10637 1.00000
F4 F 0.98481 0.60617 0.94482 1.00000
F5 F 0.16618 0.04392 0.81592 1.00000
F6 F 0.39337 0.57267 0.64271 1.00000
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