Ba5Sr2Au5
Alexandria ALEXAlex-ID: agm005662380 · 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
A2B5C5_0_spg12
Ba2Sr3Au4 Ba2Au Ba3Au2
2023-06-19 07:45:10.638034
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662380).
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 agm005662380
data_agm005662380
_cell_length_a 4.59869
_cell_length_b 8.09785
_cell_length_c 14.24628
_cell_angle_alpha 71.34000
_cell_angle_beta 80.71185
_cell_angle_gamma 73.50419
_cell_volume 480.49256
_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
Ba1 Ba 0.50000 0.50000 0.50000 1.00000
Ba2 Ba 0.34546 0.26044 0.04865 1.00000
Ba3 Ba 0.25762 0.12885 0.35590 1.00000
Ba4 Ba 0.74238 0.87115 0.64410 1.00000
Ba5 Ba 0.65454 0.73956 0.95135 1.00000
Sr1 Sr 0.96135 0.29088 0.78642 1.00000
Sr2 Sr 0.03865 0.70912 0.21358 1.00000
Au1 Au 0.88551 0.81121 0.41778 1.00000
Au2 Au 0.30814 0.57478 0.80894 1.00000
Au3 Au 0.69186 0.42522 0.19106 1.00000
Au4 Au 0.11449 0.18879 0.58222 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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