Ho2HRh
Alexandria ALEXAlex-ID: agm003636596 · 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
ABC2_1156_spg71
Ho5Rh3 HoH2 HoRh
2022-04-14 13:10:27.731757
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003636596).
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 agm003636596
data_agm003636596
_cell_length_a 3.66012
_cell_length_b 6.73397
_cell_length_c 7.07331
_cell_angle_alpha 112.86509
_cell_angle_beta 105.00655
_cell_angle_gamma 89.96518
_cell_volume 154.17664
_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
Ho1 Ho 0.34326 0.03708 0.26117 1.00000
Ho2 Ho 0.04347 0.52268 0.66201 1.00000
Ho3 Ho 0.61740 0.03691 0.80890 1.00000
Ho4 Ho 0.31758 0.52245 0.20973 1.00000
H1 H 0.22039 0.17536 0.01517 1.00000
H2 H 0.44052 0.38417 0.45572 1.00000
Rh1 Rh 0.71182 0.70687 0.99850 1.00000
Rh2 Rh 0.94899 0.85264 0.47245 1.00000
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