Y4Se3O2
Alexandria ALEXAlex-ID: agm005643348 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_33_spg2
YSe Y2SeO2
2023-06-27 19:43:08.617381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643348).
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 agm005643348
data_agm005643348
_cell_length_a 3.88873
_cell_length_b 6.68142
_cell_length_c 7.89092
_cell_angle_alpha 73.64869
_cell_angle_beta 75.73511
_cell_angle_gamma 73.08154
_cell_volume 185.17114
_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
Y1 Y 0.31621 0.26181 0.10577 1.00000
Y2 Y 0.68379 0.73819 0.89423 1.00000
Y3 Y 0.11078 0.17919 0.59925 1.00000
Y4 Y 0.88922 0.82081 0.40075 1.00000
Se1 Se 0.38593 0.50667 0.72146 1.00000
Se2 Se 0.00000 0.00000 0.00000 1.00000
Se3 Se 0.61407 0.49333 0.27854 1.00000
O1 O 0.31177 0.00757 0.36888 1.00000
O2 O 0.68823 0.99243 0.63112 1.00000
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