La(CeAg3)2
Alexandria ALEXAlex-ID: agm017155472 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_5035_spg2
LaAg2 CeAg2
2024-07-14 22:01:08.952238
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017155472).
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 agm017155472
data_agm017155472
_cell_length_a 5.94345
_cell_length_b 5.94345
_cell_length_c 5.94345
_cell_angle_alpha 91.92318
_cell_angle_beta 91.92318
_cell_angle_gamma 91.92318
_cell_volume 209.58721
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.66054 0.66054 0.66054 1.00000
Ce2 Ce 0.33946 0.33946 0.33946 1.00000
Ag1 Ag 0.16668 0.50000 0.83332 1.00000
Ag2 Ag 0.83332 0.16668 0.50000 1.00000
Ag3 Ag 0.83332 0.50000 0.16668 1.00000
Ag4 Ag 0.50000 0.16668 0.83332 1.00000
Ag5 Ag 0.16668 0.83332 0.50000 1.00000
Ag6 Ag 0.50000 0.83332 0.16668 1.00000
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