Ce2GaRu2
Alexandria ALEXAlex-ID: agm005833249 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1494_spg2
CeGaRu CeRu
2023-08-03 18:44:16.590948
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005833249).
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 agm005833249
data_agm005833249
_cell_length_a 5.59213
_cell_length_b 5.74399
_cell_length_c 8.05557
_cell_angle_alpha 110.34283
_cell_angle_beta 90.00005
_cell_angle_gamma 119.12925
_cell_volume 207.35740
_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 0.49414 0.29557 0.15941 1.00000
Ce2 Ce 0.19858 0.70443 0.34059 1.00000
Ce3 Ce 0.50586 0.70443 0.84059 1.00000
Ce4 Ce 0.80142 0.29557 0.65941 1.00000
Ga1 Ga 0.87323 1.00000 0.25000 1.00000
Ga2 Ga 0.12677 0.00000 0.75000 1.00000
Ru1 Ru 0.70834 0.72955 0.46079 1.00000
Ru2 Ru 0.97878 0.27045 0.03921 1.00000
Ru3 Ru 0.29166 0.27045 0.53921 1.00000
Ru4 Ru 0.02122 0.72955 0.96079 1.00000
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