Cu(HRh)5
Alexandria ALEXAlex-ID: agm006541533 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C5_82_spg1
H8Rh3 Cu Rh
2024-02-28 00:03:31.322595
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006541533).
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 agm006541533
data_agm006541533
_cell_length_a 4.89684
_cell_length_b 5.00411
_cell_length_c 4.96536
_cell_angle_alpha 60.46846
_cell_angle_beta 70.18119
_cell_angle_gamma 79.82187
_cell_volume 99.58837
_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
Cu1 Cu 0.96224 0.05872 0.92211 1.00000
H1 H 0.86953 0.68588 0.96761 1.00000
H2 H 0.67220 0.08457 0.64080 1.00000
H3 H 0.18186 0.97164 0.20435 1.00000
H4 H 0.67613 0.68362 0.42844 1.00000
H5 H 0.34843 0.37987 0.14830 1.00000
Rh1 Rh 0.95370 0.34590 0.28852 1.00000
Rh2 Rh 0.46728 0.71758 0.09560 1.00000
Rh3 Rh 0.45195 0.01586 0.44853 1.00000
Rh4 Rh 0.45116 0.36401 0.76696 1.00000
Rh5 Rh 0.96553 0.69233 0.58879 1.00000
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