La2Sm5Tl2
Alexandria ALEXAlex-ID: agm009706014 · 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
A2B2C5_700_spg2
Sm5Tl3 La5Tl3 Sm
2024-03-27 15:33:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009706014).
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 agm009706014
data_agm009706014
_cell_length_a 9.16738
_cell_length_b 9.16738
_cell_length_c 9.54060
_cell_angle_alpha 66.07958
_cell_angle_beta 66.07958
_cell_angle_gamma 23.39105
_cell_volume 289.74830
_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 0.46848 0.46848 0.35203 1.00000
La2 La 0.53152 0.53152 0.64797 1.00000
Sm1 Sm 0.33597 0.33597 0.97132 1.00000
Sm2 Sm 0.66403 0.66403 0.02868 1.00000
Sm3 Sm 0.20104 0.20104 0.67698 1.00000
Sm4 Sm 0.79896 0.79896 0.32302 1.00000
Sm5 Sm 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.14528 0.14528 0.33525 1.00000
Tl2 Tl 0.85472 0.85472 0.66475 1.00000
