Ag3Hg3Rh2
Alexandria ALEXAlex-ID: agm010057787 · 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
A2B3C3_326_spg1
Ag Hg Rh
2024-06-01 09:53:06.671167
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010057787).
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 agm010057787
data_agm010057787
_cell_length_a 5.68661
_cell_length_b 5.68661
_cell_length_c 6.25731
_cell_angle_alpha 74.04535
_cell_angle_beta 74.04535
_cell_angle_gamma 49.23416
_cell_volume 146.08065
_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 0.24420 0.24420 0.63051 1.00000
Ag2 Ag 0.76044 0.76044 0.37375 1.00000
Ag3 Ag 0.75899 0.75899 0.86661 1.00000
Hg1 Hg 0.49496 0.49496 0.25380 1.00000
Hg2 Hg 0.50532 0.50532 0.74618 1.00000
Hg3 Hg 0.23399 0.23399 0.13051 1.00000
Rh1 Rh 0.99984 0.99984 0.99635 1.00000
Rh2 Rh 0.00228 0.00228 0.50230 1.00000
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