Li4In3Au4
Alexandria ALEXAlex-ID: agm005709331 · 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_55_spg71
LiInAu LiAu
2023-07-02 00:57:24.359816
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709331).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005709331
data_agm005709331
_cell_length_a 3.28715
_cell_length_b 3.65170
_cell_length_c 16.86383
_cell_angle_alpha 96.31218
_cell_angle_beta 96.22672
_cell_angle_gamma 89.97221
_cell_volume 200.00043
_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 0.08685 0.08701 0.17775 1.00000
Li2 Li 0.26811 0.27171 0.54419 1.00000
Li3 Li 0.73188 0.72832 0.45582 1.00000
Li4 Li 0.91312 0.91301 0.82224 1.00000
In1 In 0.64190 0.63962 0.27893 1.00000
In2 In 0.35807 0.36041 0.72107 1.00000
In3 In 0.99999 0.00001 1.00000 1.00000
Au1 Au 0.54574 0.54848 0.10496 1.00000
Au2 Au 0.45422 0.45154 0.89503 1.00000
Au3 Au 0.80739 0.81209 0.62407 1.00000
Au4 Au 0.19260 0.18795 0.37595 1.00000
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