Ce6Co2Ru
Alexandria ALEXAlex-ID: agm005697004 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_798_spg71
Ce16Ru9 CeCo Ce
2023-07-07 03:39:21.718500
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697004).
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 agm005697004
data_agm005697004
_cell_length_a 8.50116
_cell_length_b 7.67434
_cell_length_c 8.50121
_cell_angle_alpha 106.31042
_cell_angle_beta 110.64861
_cell_angle_gamma 115.86602
_cell_volume 399.95996
_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 0.47164 0.29919 0.17785 1.00000
Ce2 Ce 0.52836 0.70081 0.82215 1.00000
Ce3 Ce 0.87865 0.70080 0.17245 1.00000
Ce4 Ce 0.12135 0.29920 0.82756 1.00000
Ce5 Ce 0.14543 0.70669 0.94091 1.00000
Ce6 Ce 0.85457 0.29331 0.05909 1.00000
Ce7 Ce 0.76577 0.70669 0.56126 1.00000
Ce8 Ce 0.23423 0.29331 0.43874 1.00000
Ce9 Ce 0.27807 0.94252 0.66445 1.00000
Ce10 Ce 0.72193 0.05749 0.33555 1.00000
Ce11 Ce 0.67621 0.32273 0.64652 1.00000
Ce12 Ce 0.32379 0.67727 0.35348 1.00000
Co1 Co 0.47803 0.33253 0.85450 1.00000
Co2 Co 0.52197 0.66747 0.14550 1.00000
Co3 Co 0.29830 0.00000 0.29831 1.00000
Co4 Co 0.70170 1.00000 0.70169 1.00000
Ru1 Ru 1.00000 0.50000 0.50000 1.00000
Ru2 Ru 1.00000 0.00000 1.00000 1.00000
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