LiY2FeO5
Alexandria ALEXAlex-ID: agm005144871 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_200_spg36
LiFeO2 Y2O3
2023-01-09 14:40:56.454858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005144871).
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 agm005144871
data_agm005144871
_cell_length_a 3.30960
_cell_length_b 6.99400
_cell_length_c 8.96252
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.68614
_cell_volume 201.56808
_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
Li1 Li 0.77568 0.55137 0.50043 1.00000
Li2 Li 0.22432 0.44863 0.00043 1.00000
Y1 Y 0.88204 0.76408 0.80487 1.00000
Y2 Y 0.12572 0.25143 0.68109 1.00000
Y3 Y 0.11796 0.23592 0.30487 1.00000
Y4 Y 0.87428 0.74857 0.18109 1.00000
Fe1 Fe 0.58398 0.16796 0.98404 1.00000
Fe2 Fe 0.41602 0.83204 0.48404 1.00000
O1 O 0.35789 0.71577 0.00196 1.00000
O2 O 0.69789 0.39579 0.84314 1.00000
O3 O 0.51269 0.02539 0.79851 1.00000
O4 O 0.31701 0.63402 0.64727 1.00000
O5 O 0.96926 0.93852 0.56266 1.00000
O6 O 0.64211 0.28423 0.50196 1.00000
O7 O 0.30211 0.60421 0.34314 1.00000
O8 O 0.48731 0.97461 0.29851 1.00000
O9 O 0.68299 0.36598 0.14727 1.00000
O10 O 0.03074 0.06148 0.06266 1.00000
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