PrAg2F6
Alexandria ALEXAlex-ID: agm097837576 · 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
AB2C6_1652_spg38
Ag2F3 PrF3
2025-04-06 21:51:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097837576).
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 agm097837576
data_agm097837576
_cell_length_a 4.57196
_cell_length_b 4.61124
_cell_length_c 9.01174
_cell_angle_alpha 84.05831
_cell_angle_beta 80.30681
_cell_angle_gamma 87.48567
_cell_volume 186.20249
_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
Pr1 Pr 0.55404 0.44634 0.74968 1.00000
Ag1 Ag 0.36172 0.74803 0.16496 1.00000
Ag2 Ag 0.75195 0.13620 0.33599 1.00000
F1 F 0.46023 0.41285 0.01153 1.00000
F2 F 0.65337 0.47372 0.48794 1.00000
F3 F 0.55213 0.94719 0.74656 1.00000
F4 F 0.25555 0.08998 0.32282 1.00000
F5 F 0.05294 0.45116 0.75239 1.00000
F6 F 0.85807 0.79455 0.17813 1.00000
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