Co2CuH6Rh
Alexandria ALEXAlex-ID: agm007406587 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1472_spg1
CuH4 CoH Cu H8Rh3
2024-03-26 05:10:41.440936
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007406587).
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 agm007406587
data_agm007406587
_cell_length_a 4.57959
_cell_length_b 4.57959
_cell_length_c 4.51043
_cell_angle_alpha 77.91696
_cell_angle_beta 77.91696
_cell_angle_gamma 118.76700
_cell_volume 75.59289
_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 0.29873 0.70127 0.50000 1.00000
Co2 Co 0.79076 0.20924 0.00000 1.00000
Cu1 Cu 0.63023 0.36977 0.50000 1.00000
H1 H 0.58315 0.95190 0.78471 1.00000
H2 H 0.92343 0.63188 0.78321 1.00000
H3 H 0.04810 0.41685 0.21529 1.00000
H4 H 0.18663 0.29518 0.74631 1.00000
H5 H 0.36812 0.07657 0.21679 1.00000
H6 H 0.70482 0.81337 0.25369 1.00000
Rh1 Rh 0.96804 0.03196 0.50000 1.00000
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