La6Mg5
Alexandria ALEXAlex-ID: agm007824809 · 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
A5B6_518_spg12
LaMg La
2024-05-10 03:42:20.554065
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007824809).
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 agm007824809
data_agm007824809
_cell_length_a 9.54719
_cell_length_b 9.54719
_cell_length_c 9.54719
_cell_angle_alpha 146.60081
_cell_angle_beta 130.38439
_cell_angle_gamma 61.13366
_cell_volume 361.35610
_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 0.74046 0.50000 0.24046 1.00000
La2 La 0.25954 0.50000 0.75954 1.00000
La3 La 0.41776 0.15863 0.25913 1.00000
La4 La 0.89950 0.15863 0.74087 1.00000
La5 La 0.58224 0.84137 0.74087 1.00000
La6 La 0.10050 0.84137 0.25913 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.83130 0.33130 0.50000 1.00000
Mg3 Mg 0.16870 0.66870 0.50000 1.00000
Mg4 Mg 0.68058 0.68058 0.00000 1.00000
Mg5 Mg 0.31942 0.31942 0.00000 1.00000
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