In2Ag5Hg2
Alexandria ALEXAlex-ID: agm005565355 · 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
A2B2C5_488_spg12
In2Ag5 Hg
2023-06-02 09:46:56.401468
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565355).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005565355
data_agm005565355
_cell_length_a 3.11717
_cell_length_b 10.57142
_cell_length_c 7.56924
_cell_angle_alpha 58.48258
_cell_angle_beta 90.09116
_cell_angle_gamma 116.35497
_cell_volume 181.65273
_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
In1 In 0.77291 0.18180 0.15673 1.00000
In2 In 0.22709 0.81820 0.84327 1.00000
Ag1 Ag 0.78064 0.52078 0.81825 1.00000
Ag2 Ag 0.21936 0.47922 0.18175 1.00000
Ag3 Ag 0.77384 0.84893 0.48377 1.00000
Ag4 Ag 0.22616 0.15107 0.51623 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00541 0.67025 0.33412 1.00000
Hg2 Hg 0.99459 0.32975 0.66588 1.00000
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