La3Y5Ru
Alexandria ALEXAlex-ID: agm072294588 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1096_spg8
La7Y LaY2 Y3Ru
2024-09-25 01:45:43.891334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072294588).
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 agm072294588
data_agm072294588
_cell_length_a 6.37189
_cell_length_b 7.02756
_cell_length_c 7.25764
_cell_angle_alpha 69.02768
_cell_angle_beta 71.66951
_cell_angle_gamma 82.96513
_cell_volume 288.04342
_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
La1 La 0.58621 0.18257 0.49472 1.00000
La2 La 0.57896 0.19114 0.97409 1.00000
La3 La 0.52283 0.71182 0.90374 1.00000
Y1 Y 0.52550 0.72335 0.39239 1.00000
Y2 Y 0.99259 0.48707 0.06605 1.00000
Y3 Y 0.07215 0.95882 0.63667 1.00000
Y4 Y 0.01613 0.48430 0.56199 1.00000
Y5 Y 0.06599 0.95443 0.14798 1.00000
Ru1 Ru 0.30597 0.31650 0.27146 1.00000
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