Y3Ag2Rh
Alexandria ALEXAlex-ID: agm020948416 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_229_spg2
Y3Ag2Rh
2025-02-22 09:53:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020948416).
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
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# CIF generated by HEAS from Alexandria entry agm020948416
data_agm020948416
_cell_length_a 7.93495
_cell_length_b 7.93495
_cell_length_c 7.25638
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.05083
_cell_volume 274.63717
_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 0.32863 0.67137 0.76580 1.00000
Y2 Y 0.00000 0.00000 0.23922 1.00000
Y3 Y 0.67137 0.32863 0.23420 1.00000
Y4 Y 0.32863 0.67137 0.23420 1.00000
Y5 Y 0.67137 0.32863 0.76580 1.00000
Y6 Y 0.00000 0.00000 0.76078 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Ag2 Ag 0.50000 0.50000 0.50000 1.00000
Ag3 Ag 0.83359 0.16641 0.50000 1.00000
Ag4 Ag 0.16641 0.83359 0.50000 1.00000
Rh1 Rh 0.83532 0.16468 0.00000 1.00000
Rh2 Rh 0.16468 0.83532 0.00000 1.00000
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