La(ZrSn)2
Alexandria ALEXAlex-ID: agm002952028 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_5_spg139
La2Zr3Sn4 Zr5Sn3 La4Sn3
2023-03-27 07:16:42.007851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002952028).
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 agm002952028
data_agm002952028
_cell_length_a 4.45769
_cell_length_b 4.45769
_cell_length_c 7.48957
_cell_angle_alpha 72.68691
_cell_angle_beta 72.68691
_cell_angle_gamma 90.00000
_cell_volume 135.00287
_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
Sn1 Sn 0.39500 0.39500 0.21000 1.00000
Sn2 Sn 0.60500 0.60500 0.79000 1.00000
Zr1 Zr 0.75000 0.25000 0.50000 1.00000
Zr2 Zr 0.25000 0.75000 0.50000 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
获取直接链接