SrSmAu4
Alexandria ALEXAlex-ID: agm013308043 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_510_spg12
SmAu2 SrAu2
2024-11-09 01:31:15.712605
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013308043).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm013308043
data_agm013308043
_cell_length_a 6.12715
_cell_length_b 6.12715
_cell_length_c 6.12715
_cell_angle_alpha 135.59074
_cell_angle_beta 104.04475
_cell_angle_gamma 92.46223
_cell_volume 148.01450
_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 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.50000 0.00000 0.50000 1.00000
Au1 Au 0.55517 0.33552 0.21965 1.00000
Au2 Au 0.44483 0.66448 0.78035 1.00000
Au3 Au 0.11587 0.33552 0.78035 1.00000
Au4 Au 0.88413 0.66448 0.21965 1.00000
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