La(TlIr)2
Alexandria ALEXAlex-ID: agm005506544 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_3_spg127
LaIr2 Tl
2023-03-20 06:52:26.129808
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506544).
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 agm005506544
data_agm005506544
_cell_length_a 7.49029
_cell_length_b 7.49029
_cell_length_c 4.01479
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 225.24774
_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
La2 La 0.50000 0.50000 0.00000 1.00000
Tl1 Tl 0.66397 0.16397 0.50000 1.00000
Tl2 Tl 0.83603 0.66397 0.50000 1.00000
Tl3 Tl 0.33603 0.83603 0.50000 1.00000
Tl4 Tl 0.16397 0.33603 0.50000 1.00000
Ir1 Ir 0.87319 0.37319 0.00000 1.00000
Ir2 Ir 0.62681 0.87319 0.00000 1.00000
Ir3 Ir 0.12681 0.62681 0.00000 1.00000
Ir4 Ir 0.37319 0.12681 0.00000 1.00000
获取直接链接