Pr3Ag2Au
Alexandria ALEXAlex-ID: agm033588477 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2535_spg2
PrAg PrAu
2025-04-14 22:58:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033588477).
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 agm033588477
data_agm033588477
_cell_length_a 8.42821
_cell_length_b 8.42821
_cell_length_c 9.22844
_cell_angle_alpha 56.81745
_cell_angle_beta 123.18255
_cell_angle_gamma 143.11831
_cell_volume 321.35176
_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 0.58406 0.41594 0.41818 1.00000
Pr2 Pr 0.75014 0.24986 0.24195 1.00000
Pr3 Pr 0.41594 0.58406 0.58182 1.00000
Pr4 Pr 0.08783 0.91217 0.92074 1.00000
Pr5 Pr 0.91217 0.08783 0.07926 1.00000
Pr6 Pr 0.24986 0.75014 0.75805 1.00000
Ag1 Ag 0.00000 0.00000 0.50000 1.00000
Ag2 Ag 0.50000 0.50000 0.00000 1.00000
Ag3 Ag 0.83531 0.16469 0.66325 1.00000
Ag4 Ag 0.16469 0.83531 0.33675 1.00000
Au1 Au 0.34048 0.65952 0.17925 1.00000
Au2 Au 0.65952 0.34048 0.82075 1.00000
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