NdYRh
Alexandria ALEXAlex-ID: agm005668448 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_11133_spg14
Nd5Rh2 Y5Rh3
2023-06-18 14:36:15.452342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668448).
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 agm005668448
data_agm005668448
_cell_length_a 6.05370
_cell_length_b 6.99005
_cell_length_c 8.14867
_cell_angle_alpha 92.49523
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 344.48917
_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
Nd1 Nd 0.36542 0.19698 0.88224 1.00000
Nd2 Nd 0.63458 0.80302 0.11776 1.00000
Nd3 Nd 0.86542 0.30302 0.61776 1.00000
Nd4 Nd 0.13458 0.69698 0.38224 1.00000
Y1 Y 0.87995 0.29674 0.13086 1.00000
Y2 Y 0.62005 0.79674 0.63086 1.00000
Y3 Y 0.12005 0.70326 0.86914 1.00000
Y4 Y 0.37995 0.20326 0.36914 1.00000
Rh1 Rh 0.33042 0.46946 0.63321 1.00000
Rh2 Rh 0.66958 0.53054 0.36679 1.00000
Rh3 Rh 0.16958 0.96946 0.13321 1.00000
Rh4 Rh 0.83042 0.03054 0.86679 1.00000
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