CeH6Ru5
Alexandria ALEXAlex-ID: agm006534992 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_30_spg12
H8Ru3 CeH5Ru Ru
2024-02-28 19:45:46.481246
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006534992).
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 agm006534992
data_agm006534992
_cell_length_a 4.87603
_cell_length_b 4.91494
_cell_length_c 5.58938
_cell_angle_alpha 63.77383
_cell_angle_beta 75.94686
_cell_angle_gamma 78.38272
_cell_volume 115.88294
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.05971 0.68899 0.70877 1.00000
H2 H 0.37366 0.24891 0.58907 1.00000
H3 H 0.54345 0.25813 0.09673 1.00000
H4 H 0.45655 0.74187 0.90327 1.00000
H5 H 0.62634 0.75109 0.41093 1.00000
H6 H 0.94029 0.31101 0.29123 1.00000
Ru1 Ru 0.44682 0.46680 0.76524 1.00000
Ru2 Ru 0.72853 0.97699 0.64648 1.00000
Ru3 Ru 0.00000 0.50000 0.50000 1.00000
Ru4 Ru 0.27147 0.02301 0.35352 1.00000
Ru5 Ru 0.55318 0.53320 0.23476 1.00000
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