Ce3Y5Ga
Alexandria ALEXAlex-ID: agm072168705 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1270_spg8
Y3Ga2 Ce Y
2024-09-24 09:46:24.069658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072168705).
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 agm072168705
data_agm072168705
_cell_length_a 6.60523
_cell_length_b 6.60523
_cell_length_c 8.58862
_cell_angle_alpha 76.99024
_cell_angle_beta 76.99024
_cell_angle_gamma 46.75477
_cell_volume 264.61624
_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 0.67725 0.67725 0.50111 1.00000
Ce2 Ce 0.79889 0.79889 0.71668 1.00000
Ce3 Ce 0.31068 0.31068 0.42751 1.00000
Y1 Y 0.01567 0.01567 0.40637 1.00000
Y2 Y 0.57193 0.57193 0.10623 1.00000
Y3 Y 0.41840 0.41840 0.81628 1.00000
Y4 Y 0.86063 0.86063 0.11347 1.00000
Y5 Y 0.11002 0.11002 0.80507 1.00000
Ga1 Ga 0.21458 0.21458 0.10729 1.00000
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