Sr3Si3Au8
Alexandria ALEXAlex-ID: agm005686128 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_19_spg12
SrAu2 Sr2Si3Au SrSiAu3
2023-06-29 11:15:14.768158
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686128).
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 agm005686128
data_agm005686128
_cell_length_a 4.59399
_cell_length_b 8.86359
_cell_length_c 8.79432
_cell_angle_alpha 61.99677
_cell_angle_beta 74.85928
_cell_angle_gamma 74.98041
_cell_volume 301.25653
_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 0.28777 0.74357 0.68089 1.00000
Sr2 Sr 0.71223 0.25643 0.31911 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.00000 0.50000 0.50000 1.00000
Si2 Si 0.66659 0.67430 0.99253 1.00000
Si3 Si 0.33341 0.32570 0.00747 1.00000
Au1 Au 0.11231 0.18026 0.59511 1.00000
Au2 Au 0.88769 0.81974 0.40489 1.00000
Au3 Au 0.84923 0.43289 0.86864 1.00000
Au4 Au 0.15077 0.56711 0.13136 1.00000
Au5 Au 0.52130 0.64740 0.31001 1.00000
Au6 Au 0.47870 0.35260 0.68999 1.00000
Au7 Au 0.35943 0.03050 0.25064 1.00000
Au8 Au 0.64057 0.96950 0.74936 1.00000
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