Sr3(LiAu)4
Alexandria ALEXAlex-ID: agm003380932 · 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
A3B4C4_0_spg71
SrLiAu Li3Au SrAu
2022-02-09 04:18:17.302209
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003380932).
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 agm003380932
data_agm003380932
_cell_length_a 4.30387
_cell_length_b 4.45236
_cell_length_c 14.37096
_cell_angle_alpha 81.09170
_cell_angle_beta 81.49025
_cell_angle_gamma 89.99797
_cell_volume 268.99122
_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
Sr1 Sr 0.14794 0.64848 0.70482 1.00000
Sr2 Sr 0.85207 0.35153 0.29521 1.00000
Sr3 Sr 0.00003 0.00003 0.99998 1.00000
Li1 Li 0.59882 0.09933 0.80334 1.00000
Li2 Li 0.25013 0.25000 0.49956 1.00000
Li3 Li 0.74986 0.75000 0.50048 1.00000
Li4 Li 0.40122 0.90071 0.19664 1.00000
Au1 Au 0.54928 0.55220 0.89825 1.00000
Au2 Au 0.45080 0.44786 0.10171 1.00000
Au3 Au 0.30720 0.80747 0.38397 1.00000
Au4 Au 0.69280 0.19254 0.61604 1.00000
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