La6CeY
Alexandria ALEXAlex-ID: agm005758830 · 空间群: P-31m (#162)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_257_spg12
La7Y Ce LaY2
2023-07-30 17:21:08.576843
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758830).
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 agm005758830
data_agm005758830
_cell_length_a 6.84966
_cell_length_b 6.84966
_cell_length_c 6.86527
_cell_angle_alpha 90.00715
_cell_angle_beta 90.00715
_cell_angle_gamma 120.05058
_cell_volume 278.80754
_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 0.00137 0.56252 0.74449 1.00000
La2 La 0.56252 0.00137 0.74449 1.00000
La3 La 0.43748 0.99863 0.25551 1.00000
La4 La 0.99863 0.43748 0.25551 1.00000
La5 La 0.43899 0.43899 0.74463 1.00000
La6 La 0.56101 0.56101 0.25537 1.00000
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
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