Ce3AgHg3
Alexandria ALEXAlex-ID: agm005991746 · 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
AB3C3_294_spg65
CeAgHg CeHg
2023-08-07 23:21:16.853944
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991746).
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 agm005991746
data_agm005991746
_cell_length_a 6.77546
_cell_length_b 6.76960
_cell_length_c 8.19591
_cell_angle_alpha 90.65689
_cell_angle_beta 90.65675
_cell_angle_gamma 88.71303
_cell_volume 375.78017
_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
Ce1 Ce 0.96740 0.96713 0.76295 1.00000
Ce2 Ce 0.43936 0.04546 0.24535 1.00000
Ce3 Ce 0.04697 0.44018 0.24521 1.00000
Ce4 Ce 0.56064 0.95454 0.75465 1.00000
Ce5 Ce 0.95303 0.55982 0.75479 1.00000
Ce6 Ce 0.03260 0.03287 0.23705 1.00000
Ag1 Ag 0.26639 0.26624 0.92843 1.00000
Ag2 Ag 0.73361 0.73376 0.07157 1.00000
Hg1 Hg 0.26728 0.26737 0.56845 1.00000
Hg2 Hg 0.27005 0.72994 0.50072 1.00000
Hg3 Hg 0.72995 0.27006 0.49928 1.00000
Hg4 Hg 0.29705 0.70309 0.99907 1.00000
Hg5 Hg 0.70295 0.29691 0.00093 1.00000
Hg6 Hg 0.73272 0.73263 0.43155 1.00000
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