Sr2CuAu3
Alexandria ALEXAlex-ID: agm017254264 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_139_spg8
Sr5Au6 SrAu2 Cu
2025-04-13 20:39:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017254264).
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 agm017254264
data_agm017254264
_cell_length_a 6.20366
_cell_length_b 6.20366
_cell_length_c 8.09166
_cell_angle_alpha 49.36221
_cell_angle_beta 130.63779
_cell_angle_gamma 136.49995
_cell_volume 152.83322
_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 0.49704 0.50296 0.74870 1.00000
Sr2 Sr 0.50500 0.49500 0.25347 1.00000
Cu1 Cu 0.83033 0.16967 0.32579 1.00000
Au1 Au 0.14361 0.85639 0.64662 1.00000
Au2 Au 0.18499 0.81501 0.18110 1.00000
Au3 Au 0.84049 0.15951 0.84432 1.00000
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