Y5PaRh6
Alexandria ALEXAlex-ID: agm014344355 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_119_spg12
Y5PaRh6
2024-11-03 06:33:50.038470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014344355).
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 agm014344355
data_agm014344355
_cell_length_a 8.34071
_cell_length_b 8.34071
_cell_length_c 7.34275
_cell_angle_alpha 77.30243
_cell_angle_beta 77.30243
_cell_angle_gamma 30.75053
_cell_volume 254.30376
_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 0.67922 0.67922 0.90910 1.00000
Y2 Y 0.32754 0.32754 0.58573 1.00000
Y3 Y 0.00000 0.00000 0.50000 1.00000
Y4 Y 0.67246 0.67246 0.41427 1.00000
Y5 Y 0.32078 0.32078 0.09090 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.86154 0.86154 0.30913 1.00000
Rh2 Rh 0.86546 0.86546 0.82978 1.00000
Rh3 Rh 0.49919 0.49919 0.22278 1.00000
Rh4 Rh 0.50081 0.50081 0.77722 1.00000
Rh5 Rh 0.13454 0.13454 0.17022 1.00000
Rh6 Rh 0.13846 0.13846 0.69087 1.00000
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