La(YEr)3
Alexandria ALEXAlex-ID: agm005874086 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_323_spg148
LaY2 YEr5 Y5Er
2023-08-06 21:31:16.132091
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874086).
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 agm005874086
data_agm005874086
_cell_length_a 8.83823
_cell_length_b 8.83823
_cell_length_c 8.83823
_cell_angle_alpha 58.68005
_cell_angle_beta 58.68005
_cell_angle_gamma 58.68005
_cell_volume 473.45571
_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 0.35072 0.35072 0.35072 1.00000
La2 La 0.64928 0.64928 0.64928 1.00000
Y1 Y 0.72960 0.57013 0.06332 1.00000
Y2 Y 0.06332 0.72960 0.57013 1.00000
Y3 Y 0.57013 0.06332 0.72960 1.00000
Y4 Y 0.42987 0.93668 0.27040 1.00000
Y5 Y 0.93668 0.27040 0.42987 1.00000
Y6 Y 0.27040 0.42987 0.93668 1.00000
Er1 Er 0.71679 0.17175 0.93441 1.00000
Er2 Er 0.17175 0.93441 0.71679 1.00000
Er3 Er 0.93441 0.71679 0.17175 1.00000
Er4 Er 0.06559 0.28321 0.82825 1.00000
Er5 Er 0.82825 0.06559 0.28321 1.00000
Er6 Er 0.28321 0.82825 0.06559 1.00000
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