Y6Cu5Rh
Alexandria ALEXAlex-ID: agm006077656 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Y2CuRh YCu
2023-08-25 10:55:16.002428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006077656).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006077656
data_agm006077656
_cell_length_a 4.91041
_cell_length_b 6.96338
_cell_length_c 7.77978
_cell_angle_alpha 89.99955
_cell_angle_beta 71.60369
_cell_angle_gamma 89.99859
_cell_volume 252.42030
_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
Y1 Y 0.83530 0.75131 0.32942 1.00000
Y2 Y 0.83528 0.24869 0.32942 1.00000
Y3 Y 0.50001 0.24597 1.00000 1.00000
Y4 Y 0.49999 0.75403 0.00000 1.00000
Y5 Y 0.16472 0.75131 0.67058 1.00000
Y6 Y 0.16470 0.24869 0.67058 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.66436 0.50000 0.67128 1.00000
Cu2 Cu 0.33003 0.00000 0.33993 1.00000
Cu3 Cu 0.00000 0.50000 0.00000 1.00000
Cu4 Cu 0.66997 1.00000 0.66007 1.00000
Cu5 Cu 0.33564 0.50000 0.32872 1.00000
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