Ho4RuRh
Alexandria ALEXAlex-ID: agm005803020 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1313_spg15
Ho5Rh3 Ho2Ru Ho5Ru2
2023-07-31 05:19:31.872896
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803020).
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 agm005803020
data_agm005803020
_cell_length_a 6.28294
_cell_length_b 7.42971
_cell_length_c 7.83581
_cell_angle_alpha 114.03777
_cell_angle_beta 108.78276
_cell_angle_gamma 99.58386
_cell_volume 296.93784
_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 0.00480 0.23930 0.87207 1.00000
Ho2 Ho 0.79385 0.69368 0.64818 1.00000
Ho3 Ho 0.36728 0.63277 0.87207 1.00000
Ho4 Ho 0.35432 0.95449 0.64818 1.00000
Ho5 Ho 0.64568 0.04551 0.35182 1.00000
Ho6 Ho 0.63272 0.36723 0.12793 1.00000
Ho7 Ho 0.20615 0.30632 0.35182 1.00000
Ho8 Ho 0.99520 0.76070 0.12793 1.00000
Ru1 Ru 0.25084 0.00084 0.00167 1.00000
Ru2 Ru 0.74916 0.99916 0.99833 1.00000
Rh1 Rh 0.38582 0.63582 0.27163 1.00000
Rh2 Rh 0.61418 0.36418 0.72837 1.00000
获取直接链接