CeRu2C3
Alexandria ALEXAlex-ID: agm005689459 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1009_spg63
CeRu CeRu3C C
2023-08-07 09:08:13.831292
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689459).
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 agm005689459
data_agm005689459
_cell_length_a 5.28014
_cell_length_b 6.99613
_cell_length_c 5.75085
_cell_angle_alpha 127.46472
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 168.61921
_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 0.75000 0.28976 0.57952 1.00000
Ce2 Ce 0.25000 0.71024 0.42048 1.00000
Ru1 Ru 0.50000 0.19346 0.00000 1.00000
Ru2 Ru 0.50000 0.80654 1.00000 1.00000
Ru3 Ru 0.00000 0.80654 1.00000 1.00000
Ru4 Ru 0.00000 0.19346 0.00000 1.00000
C1 C 0.25000 0.53147 0.86745 1.00000
C2 C 0.75000 0.46853 0.13255 1.00000
C3 C 0.75000 0.66402 0.13255 1.00000
C4 C 0.25000 0.33598 0.86745 1.00000
C5 C 0.25000 0.08606 0.17212 1.00000
C6 C 0.75000 0.91394 0.82788 1.00000
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