Ce5Re3B
Alexandria ALEXAlex-ID: agm072545474 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1195_spg1
Ce8Re13B12 Ce CeRe2
2024-09-23 20:30:15.800391
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072545474).
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 agm072545474
data_agm072545474
_cell_length_a 5.16615
_cell_length_b 5.18116
_cell_length_c 8.13460
_cell_angle_alpha 97.35651
_cell_angle_beta 98.04753
_cell_angle_gamma 110.00765
_cell_volume 198.92484
_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 0.66569 0.20271 0.62823 1.00000
Ce2 Ce 0.01256 0.92889 0.79956 1.00000
Ce3 Ce 0.53450 0.07426 0.24087 1.00000
Ce4 Ce 0.42216 0.57153 0.80462 1.00000
Ce5 Ce 0.98513 0.49349 0.10916 1.00000
Re1 Re 0.11083 0.64695 0.45734 1.00000
Re2 Re 0.10242 0.13880 0.43706 1.00000
Re3 Re 0.60255 0.63801 0.43446 1.00000
B1 B 0.54850 0.10157 0.91855 1.00000
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