La6Tl5In
Alexandria ALEXAlex-ID: agm006111365 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_55_spg71
LaTl LaIn
2023-08-29 02:56:59.327762
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111365).
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 agm006111365
data_agm006111365
_cell_length_a 5.64502
_cell_length_b 7.91481
_cell_length_c 9.76242
_cell_angle_alpha 113.91436
_cell_angle_beta 106.80522
_cell_angle_gamma 90.00012
_cell_volume 378.26548
_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
Tl1 Tl 0.66731 0.16731 0.33461 1.00000
Tl2 Tl 0.33327 0.33327 0.66654 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Tl4 Tl 0.66673 0.66673 0.33346 1.00000
Tl5 Tl 0.33269 0.83269 0.66539 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
La1 La 0.83408 0.58491 0.66815 1.00000
La2 La 0.83407 0.08324 0.66815 1.00000
La3 La 0.50000 0.75174 1.00000 1.00000
La4 La 0.50000 0.24826 0.00000 1.00000
La5 La 0.16593 0.91676 0.33185 1.00000
La6 La 0.16592 0.41509 0.33185 1.00000
获取直接链接