LaZr5
Alexandria ALEXAlex-ID: agm005448457 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_2_spg8
Zr La
2023-03-22 03:45:06.393337
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005448457).
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 agm005448457
data_agm005448457
_cell_length_a 6.30805
_cell_length_b 6.30805
_cell_length_c 7.78426
_cell_angle_alpha 75.97866
_cell_angle_beta 75.97866
_cell_angle_gamma 29.91272
_cell_volume 149.52888
_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 0.99935 0.99935 0.99678 1.00000
Zr1 Zr 0.61259 0.61259 0.29469 1.00000
Zr2 Zr 0.33282 0.33282 0.33667 1.00000
Zr3 Zr 0.94287 0.94287 0.60700 1.00000
Zr4 Zr 0.67637 0.67637 0.65151 1.00000
Zr5 Zr 0.26932 0.26932 0.94669 1.00000
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