La5Y5Er2
Alexandria ALEXAlex-ID: agm005644248 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_15_spg12
La7Y LaY2 LaEr2
2023-06-19 16:25:03.375253
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644248).
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 agm005644248
data_agm005644248
_cell_length_a 5.78299
_cell_length_b 9.13503
_cell_length_c 9.12200
_cell_angle_alpha 101.62552
_cell_angle_beta 71.51958
_cell_angle_gamma 71.54690
_cell_volume 408.41521
_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 0.66490 0.21426 0.45594 1.00000
La2 La 0.99348 0.25540 0.75763 1.00000
La3 La 0.00652 0.74460 0.24237 1.00000
La4 La 0.33510 0.78574 0.54406 1.00000
La5 La 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.00000 0.50000 0.50000 1.00000
Y2 Y 0.67033 0.70437 0.95497 1.00000
Y3 Y 0.33166 0.04445 0.29223 1.00000
Y4 Y 0.66834 0.95555 0.70777 1.00000
Y5 Y 0.32967 0.29563 0.04503 1.00000
Er1 Er 0.33470 0.54090 0.78971 1.00000
Er2 Er 0.66530 0.45910 0.21029 1.00000
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