Ag4PtAu
Alexandria ALEXAlex-ID: agm003733983 · 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
ABC4_1155_spg12
Ag2Au Ag7Au2 Ag3Pt2
2022-05-04 13:54:52.039530
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733983).
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 agm003733983
data_agm003733983
_cell_length_a 8.63685
_cell_length_b 8.63668
_cell_length_c 12.19344
_cell_angle_alpha 19.82717
_cell_angle_beta 19.82679
_cell_angle_gamma 28.15756
_cell_volume 104.59530
_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
Ag1 Ag 0.49654 0.49656 0.17106 1.00000
Ag2 Ag 0.50346 0.50344 0.82894 1.00000
Ag3 Ag 0.00644 0.00640 0.65790 1.00000
Ag4 Ag 0.99356 0.99360 0.34210 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
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