Ce3NiRh5
Alexandria ALEXAlex-ID: agm072201643 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1020_spg8
CeRh2 Ce2NiRh3
2024-09-24 18:14:32.289347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072201643).
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 agm072201643
data_agm072201643
_cell_length_a 5.03600
_cell_length_b 5.88748
_cell_length_c 5.98436
_cell_angle_alpha 82.48602
_cell_angle_beta 104.65583
_cell_angle_gamma 92.95583
_cell_volume 170.15369
_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
Ce1 Ce 0.30261 0.72100 0.97121 1.00000
Ce2 Ce 0.45658 0.27643 0.68152 1.00000
Ce3 Ce 0.87605 0.99531 0.32577 1.00000
Ni1 Ni 0.04834 0.17758 0.85885 1.00000
Rh1 Rh 0.96228 0.46543 0.13203 1.00000
Rh2 Rh 0.80946 0.50389 0.53252 1.00000
Rh3 Rh 0.29201 0.76533 0.43936 1.00000
Rh4 Rh 0.45889 0.22438 0.20319 1.00000
Rh5 Rh 0.70796 0.82597 0.80874 1.00000
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