Li5(LaAu6)2
Alexandria ALEXAlex-ID: agm005680045 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_274_spg166
Li2LaAu4 La14Au51 LiAu
2023-06-25 22:37:31.410346
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680045).
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
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# CIF generated by HEAS from Alexandria entry agm005680045
data_agm005680045
_cell_length_a 7.19732
_cell_length_b 7.19732
_cell_length_c 7.19732
_cell_angle_alpha 81.26128
_cell_angle_beta 81.26129
_cell_angle_gamma 81.26129
_cell_volume 361.04410
_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
Li1 Li 0.00000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.50000 0.00000 0.00000 1.00000
Li4 Li 0.90989 0.90989 0.90989 1.00000
Li5 Li 0.09011 0.09011 0.09011 1.00000
La1 La 0.64806 0.64806 0.64806 1.00000
La2 La 0.35194 0.35194 0.35194 1.00000
Au1 Au 0.30333 0.69667 0.00000 1.00000
Au2 Au 0.69667 1.00000 0.30333 1.00000
Au3 Au 1.00000 0.30333 0.69667 1.00000
Au4 Au 0.69667 0.30333 1.00000 1.00000
Au5 Au 0.30333 0.00000 0.69667 1.00000
Au6 Au 0.00000 0.69667 0.30333 1.00000
Au7 Au 0.33466 0.33466 0.86720 1.00000
Au8 Au 0.33466 0.86720 0.33466 1.00000
Au9 Au 0.86720 0.33466 0.33466 1.00000
Au10 Au 0.66534 0.13280 0.66534 1.00000
Au11 Au 0.66534 0.66534 0.13280 1.00000
Au12 Au 0.13280 0.66534 0.66534 1.00000
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