InH4Rh2Au
Alexandria ALEXAlex-ID: agm007493852 · 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
ABC2D4_493_spg1
In(H4Rh)2 H8Rh3 InRh Au
2024-03-15 18:16:23.266220
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007493852).
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 agm007493852
data_agm007493852
_cell_length_a 4.28001
_cell_length_b 5.06661
_cell_length_c 5.10652
_cell_angle_alpha 92.63369
_cell_angle_beta 114.78209
_cell_angle_gamma 114.95932
_cell_volume 87.74488
_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 0.93992 0.43890 0.91313 1.00000
H1 H 0.31080 0.52763 0.56418 1.00000
H2 H 0.81063 0.81351 0.27678 1.00000
H3 H 0.75462 0.85652 0.61122 1.00000
H4 H 0.23985 0.85577 0.61109 1.00000
Rh1 Rh 0.11145 0.13510 0.56012 1.00000
Rh2 Rh 0.61220 0.81128 0.88589 1.00000
Au1 Au 0.44641 0.17423 0.19054 1.00000
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