AgPdF6
Alexandria ALEXAlex-ID: agm003219952 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_49_spg2
AgPdF6
2021-12-06 06:35:10.415445
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003219952).
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 agm003219952
data_agm003219952
_cell_length_a 5.14495
_cell_length_b 5.19253
_cell_length_c 10.20020
_cell_angle_alpha 76.33246
_cell_angle_beta 76.99526
_cell_angle_gamma 61.15827
_cell_volume 229.95779
_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 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.29348 0.21921 0.24991 1.00000
Pd2 Pd 0.70652 0.78079 0.75009 1.00000
F1 F 0.95961 0.47339 0.36611 1.00000
F2 F 0.04039 0.52661 0.63389 1.00000
F3 F 0.63347 0.94918 0.13346 1.00000
F4 F 0.36653 0.05082 0.86654 1.00000
F5 F 0.67158 0.44211 0.86433 1.00000
F6 F 0.32842 0.55789 0.13567 1.00000
F7 F 0.98434 0.73564 0.86803 1.00000
F8 F 0.01566 0.26436 0.13197 1.00000
F9 F 0.43632 0.81541 0.63195 1.00000
F10 F 0.56368 0.18459 0.36805 1.00000
F11 F 0.75758 0.12430 0.63590 1.00000
F12 F 0.24242 0.87570 0.36410 1.00000
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