SrLi2AcAu4
Alexandria ALEXAlex-ID: agm036081237 · 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
ABC2D4_606_spg12
LiAcAu2 SrLiAu2
2025-03-12 00:53:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036081237).
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 agm036081237
data_agm036081237
_cell_length_a 10.75106
_cell_length_b 10.75106
_cell_length_c 10.75106
_cell_angle_alpha 24.85326
_cell_angle_beta 24.85326
_cell_angle_gamma 24.85326
_cell_volume 193.08404
_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 0.50000 0.50000 0.50000 1.00000
Li1 Li 0.24797 0.24797 0.24797 1.00000
Li2 Li 0.75203 0.75203 0.75203 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.60613 0.60613 0.60613 1.00000
Au2 Au 0.10442 0.10442 0.10442 1.00000
Au3 Au 0.89558 0.89558 0.89558 1.00000
Au4 Au 0.39387 0.39387 0.39387 1.00000
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