LaY8Er3
Alexandria ALEXAlex-ID: agm014795049 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_861_spg6
LaY2 YEr5 Y5Er
2025-01-03 21:20:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014795049).
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 agm014795049
data_agm014795049
_cell_length_a 8.86217
_cell_length_b 3.60437
_cell_length_c 12.46447
_cell_angle_alpha 90.00000
_cell_angle_beta 103.58578
_cell_angle_gamma 90.00000
_cell_volume 387.00679
_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 0.75274 0.00000 0.20778 1.00000
Y1 Y 0.41430 0.50000 0.06714 1.00000
Y2 Y 0.41584 0.00000 0.31952 1.00000
Y3 Y 0.08873 0.50000 0.34755 1.00000
Y4 Y 0.08881 0.00000 0.59980 1.00000
Y5 Y 0.75244 0.50000 0.46120 1.00000
Y6 Y 0.75538 0.00000 0.71018 1.00000
Y7 Y 0.75309 0.50000 0.95582 1.00000
Y8 Y 0.41886 0.50000 0.57185 1.00000
Er1 Er 0.08765 0.00000 0.09554 1.00000
Er2 Er 0.41680 0.00000 0.81906 1.00000
Er3 Er 0.08911 0.50000 0.84800 1.00000
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