LaTbCe
Alexandria ALEXAlex-ID: agm005659999 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_234_spg11
LaTb Ce
2023-06-17 20:40:59.687979
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659999).
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 agm005659999
data_agm005659999
_cell_length_a 6.21003
_cell_length_b 3.60056
_cell_length_c 17.24904
_cell_angle_alpha 102.05553
_cell_angle_beta 32.91255
_cell_angle_gamma 90.04133
_cell_volume 193.56004
_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 0.36484 0.09129 0.89219 1.00000
La2 La 0.67130 0.96018 0.25863 1.00000
Tb1 Tb 0.83916 0.60117 0.90223 1.00000
Tb2 Tb 0.19696 0.45035 0.24859 1.00000
Ce1 Ce 0.75335 0.77758 0.57859 1.00000
Ce2 Ce 0.28279 0.27395 0.57223 1.00000
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