Ce3(SmRu)2
Alexandria ALEXAlex-ID: agm003309727 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_22_spg12
Ce16Ru9 CeSm2Ru Ce
2022-02-03 22:54:31.169772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003309727).
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 agm003309727
data_agm003309727
_cell_length_a 3.80096
_cell_length_b 6.15194
_cell_length_c 8.67716
_cell_angle_alpha 109.84700
_cell_angle_beta 90.00000
_cell_angle_gamma 107.99437
_cell_volume 180.26166
_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 0.50000 0.00000 0.00000 1.00000
Ce2 Ce 0.62102 0.24203 0.43408 1.00000
Ce3 Ce 0.37898 0.75797 0.56592 1.00000
Sm1 Sm 0.83792 0.67584 0.19809 1.00000
Sm2 Sm 0.16208 0.32416 0.80191 1.00000
Ru1 Ru 0.13010 0.26020 0.21873 1.00000
Ru2 Ru 0.86990 0.73980 0.78127 1.00000
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