U3(CoRh)4
Alexandria ALEXAlex-ID: agm009944656 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_380_spg71
U2CoRh5 UCo3 URh
2024-03-04 09:37:31.191991
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009944656).
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 agm009944656
data_agm009944656
_cell_length_a 7.50903
_cell_length_b 7.50903
_cell_length_c 7.50903
_cell_angle_alpha 147.80725
_cell_angle_beta 130.50701
_cell_angle_gamma 60.27738
_cell_volume 169.98653
_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
U1 U 0.80245 0.80245 0.00000 1.00000
U2 U 0.19755 0.19755 0.00000 1.00000
U3 U 0.50000 0.50000 0.00000 1.00000
Co1 Co 0.34209 0.63875 0.70334 1.00000
Co2 Co 0.06460 0.36125 0.70334 1.00000
Co3 Co 0.65791 0.36125 0.29666 1.00000
Co4 Co 0.93540 0.63875 0.29666 1.00000
Rh1 Rh 0.32851 0.82851 0.50000 1.00000
Rh2 Rh 0.67149 0.17149 0.50000 1.00000
Rh3 Rh 0.78375 0.00000 0.78375 1.00000
Rh4 Rh 0.21625 0.00000 0.21625 1.00000
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