CdRu5
Alexandria ALEXAlex-ID: agm005447980 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_238_spg8
Ru Cd
2023-03-21 19:09:47.890512
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005447980).
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 agm005447980
data_agm005447980
_cell_length_a 5.27023
_cell_length_b 5.27023
_cell_length_c 6.52408
_cell_angle_alpha 75.83194
_cell_angle_beta 75.83194
_cell_angle_gamma 30.47559
_cell_volume 88.89716
_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
Cd1 Cd 0.99597 0.99597 0.00422 1.00000
Ru1 Ru 0.61873 0.61873 0.29208 1.00000
Ru2 Ru 0.32684 0.32684 0.34520 1.00000
Ru3 Ru 0.94389 0.94389 0.60328 1.00000
Ru4 Ru 0.67606 0.67606 0.65683 1.00000
Ru5 Ru 0.27184 0.27184 0.93173 1.00000
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