Ce2TiBe2Ru5
Alexandria ALEXAlex-ID: agm033484433 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_49_spg127
CeRu2 Be3Ru2 CeRu TiRu
2024-08-24 23:44:42.922299
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033484433).
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 agm033484433
data_agm033484433
_cell_length_a 9.70664
_cell_length_b 9.70664
_cell_length_c 3.21826
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 303.22111
_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 0.67457 0.17457 0.00000 1.00000
Ce2 Ce 0.32543 0.82543 0.00000 1.00000
Ce3 Ce 0.17457 0.32543 0.00000 1.00000
Ce4 Ce 0.82543 0.67457 0.00000 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Ti2 Ti 0.50000 0.50000 0.00000 1.00000
Be1 Be 0.12294 0.62294 0.00000 1.00000
Be2 Be 0.87706 0.37706 0.00000 1.00000
Be3 Be 0.62294 0.87706 0.00000 1.00000
Be4 Be 0.37706 0.12294 0.00000 1.00000
Ru1 Ru 0.20853 0.07135 0.50000 1.00000
Ru2 Ru 0.79147 0.92865 0.50000 1.00000
Ru3 Ru 0.07135 0.79147 0.50000 1.00000
Ru4 Ru 0.70853 0.42865 0.50000 1.00000
Ru5 Ru 0.92865 0.20853 0.50000 1.00000
Ru6 Ru 0.29147 0.57135 0.50000 1.00000
Ru7 Ru 0.57135 0.70853 0.50000 1.00000
Ru8 Ru 0.42865 0.29147 0.50000 1.00000
Ru9 Ru 0.50000 0.00000 0.50000 1.00000
Ru10 Ru 0.00000 0.50000 0.50000 1.00000
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