Ce4Hg5Ru2
Alexandria ALEXAlex-ID: agm005679376 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_19_spg10
Ce2HgRu2 CeHg2
2023-06-22 12:19:22.083499
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679376).
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 agm005679376
data_agm005679376
_cell_length_a 3.66410
_cell_length_b 7.89433
_cell_length_c 9.53930
_cell_angle_alpha 95.54585
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 274.63832
_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 0.50000 0.78704 0.56082 1.00000
Ce2 Ce 0.50000 0.18283 0.84055 1.00000
Ce3 Ce 0.50000 0.21296 0.43918 1.00000
Ce4 Ce 0.50000 0.81717 0.15945 1.00000
Hg1 Hg 0.00000 0.53533 0.33224 1.00000
Hg2 Hg 0.00000 0.16592 0.13882 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.00000 0.83408 0.86118 1.00000
Hg5 Hg 0.00000 0.46467 0.66776 1.00000
Ru1 Ru 0.00000 0.08914 0.64828 1.00000
Ru2 Ru 0.00000 0.91086 0.35172 1.00000
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