CdRu3
Alexandria ALEXAlex-ID: agm005494094 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_6_spg139
Ru Cd
2023-03-19 03:48:46.781429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005494094).
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 agm005494094
data_agm005494094
_cell_length_a 8.54314
_cell_length_b 8.54314
_cell_length_c 8.54314
_cell_angle_alpha 153.66354
_cell_angle_beta 153.66354
_cell_angle_gamma 37.58883
_cell_volume 122.53645
_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 0.37639 0.37639 0.00000 1.00000
Cd2 Cd 0.62361 0.62361 0.00000 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.12851 0.12851 0.00000 1.00000
Ru3 Ru 0.87149 0.87149 0.00000 1.00000
Ru4 Ru 0.75000 0.25000 0.50000 1.00000
Ru5 Ru 0.25000 0.75000 0.50000 1.00000
Ru6 Ru 0.00000 0.50000 0.50000 1.00000
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