HgRh2
Alexandria ALEXAlex-ID: agm005446371 · 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
AB2_4_spg12
Rh Hg
2023-03-21 18:41:39.079540
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005446371).
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 agm005446371
data_agm005446371
_cell_length_a 5.64588
_cell_length_b 5.64588
_cell_length_c 6.57221
_cell_angle_alpha 74.75813
_cell_angle_beta 74.75813
_cell_angle_gamma 29.33847
_cell_volume 98.78306
_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
Hg1 Hg 0.97750 0.97750 0.78928 1.00000
Hg2 Hg 0.02250 0.02250 0.21072 1.00000
Rh1 Rh 0.34279 0.34279 0.53039 1.00000
Rh2 Rh 0.70321 0.70321 0.86585 1.00000
Rh3 Rh 0.29679 0.29679 0.13415 1.00000
Rh4 Rh 0.65721 0.65721 0.46961 1.00000
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