Sr7Au4
Alexandria ALEXAlex-ID: agm008238554 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7_34_spg71
Sr3Au2 Sr7Au3
2025-02-03 05:53:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008238554).
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 agm008238554
data_agm008238554
_cell_length_a 10.09279
_cell_length_b 10.09279
_cell_length_c 10.09279
_cell_angle_alpha 154.40643
_cell_angle_beta 117.94231
_cell_angle_gamma 68.25580
_cell_volume 388.66648
_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 0.20688 0.31378 0.89310 1.00000
Sr2 Sr 0.63704 0.36894 0.26811 1.00000
Sr3 Sr 0.50277 0.00000 0.50277 1.00000
Sr4 Sr 0.21811 0.11261 0.10550 1.00000
Sr5 Sr 0.99289 0.88739 0.10550 1.00000
Sr6 Sr 0.57933 0.68622 0.89310 1.00000
Sr7 Sr 0.89917 0.63106 0.26811 1.00000
Au1 Au 0.27651 0.50000 0.77651 1.00000
Au2 Au 0.83831 1.00000 0.83831 1.00000
Au3 Au 0.83938 0.23866 0.60072 1.00000
Au4 Au 0.36206 0.76134 0.60072 1.00000
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