La3Y5Er4
Alexandria ALEXAlex-ID: agm005693748 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_119_spg2
LaY2 YEr5 LaEr2
2023-06-29 16:02:38.312725
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693748).
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 agm005693748
data_agm005693748
_cell_length_a 7.17850
_cell_length_b 11.35970
_cell_length_c 12.96234
_cell_angle_alpha 151.27601
_cell_angle_beta 56.54700
_cell_angle_gamma 129.09292
_cell_volume 394.26331
_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 0.58785 0.17002 0.33579 1.00000
La2 La 0.00000 0.00000 0.50000 1.00000
La3 La 0.41215 0.82998 0.66421 1.00000
Y1 Y 0.33394 0.66848 0.83497 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.74749 0.50207 0.00211 1.00000
Y4 Y 0.25251 0.49793 0.99789 1.00000
Y5 Y 0.66606 0.33152 0.16503 1.00000
Er1 Er 0.91896 0.83732 0.67023 1.00000
Er2 Er 0.83542 0.66873 0.83471 1.00000
Er3 Er 0.16458 0.33127 0.16529 1.00000
Er4 Er 0.08104 0.16268 0.32977 1.00000
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