CoH2Rh
Alexandria ALEXAlex-ID: agm005665022 · 空间群: Pbcm (#57)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_8202_spg33
H8Rh3 Co Rh
2023-07-09 21:30:45.151738
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665022).
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 agm005665022
data_agm005665022
_cell_length_a 4.50641
_cell_length_b 4.71186
_cell_length_c 5.61305
_cell_angle_alpha 90.00000
_cell_angle_beta 90.01651
_cell_angle_gamma 90.00000
_cell_volume 119.18521
_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
Co1 Co 0.25007 0.41703 0.11228 1.00000
Co2 Co 0.24993 0.91703 0.88772 1.00000
Co3 Co 0.75007 0.08297 0.11228 1.00000
Co4 Co 0.74993 0.58297 0.88772 1.00000
H1 H 0.49983 0.74990 0.12300 1.00000
H2 H 0.99983 0.75010 0.12300 1.00000
H3 H 0.00017 0.25029 0.33889 1.00000
H4 H 0.00017 0.24990 0.87700 1.00000
H5 H 0.99983 0.74971 0.66111 1.00000
H6 H 0.49983 0.75029 0.66111 1.00000
H7 H 0.50017 0.25010 0.87700 1.00000
H8 H 0.50017 0.24971 0.33889 1.00000
Rh1 Rh 0.74999 0.07078 0.63899 1.00000
Rh2 Rh 0.24999 0.42922 0.63899 1.00000
Rh3 Rh 0.25001 0.92922 0.36101 1.00000
Rh4 Rh 0.75001 0.57078 0.36101 1.00000
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