DyY4Se5
Alexandria ALEXAlex-ID: agm006088063 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_3_spg79
DyY4Se5
2023-10-18 02:58:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006088063).
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
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# CIF generated by HEAS from Alexandria entry agm006088063
data_agm006088063
_cell_length_a 5.78967
_cell_length_b 7.06950
_cell_length_c 7.06950
_cell_angle_alpha 80.34730
_cell_angle_beta 65.82767
_cell_angle_gamma 65.82768
_cell_volume 240.83750
_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
Dy1 Dy 0.00077 0.00000 1.00000 1.00000
Y1 Y 0.40165 0.40003 0.79887 1.00000
Y2 Y 0.80169 0.79887 0.59997 1.00000
Y3 Y 0.20053 0.20113 0.40003 1.00000
Y4 Y 0.60056 0.59997 0.20113 1.00000
Se1 Se 0.90084 0.39934 0.80111 1.00000
Se2 Se 0.30019 0.80111 0.60066 1.00000
Se3 Se 0.70195 0.19889 0.39934 1.00000
Se4 Se 0.10129 0.60066 0.19889 1.00000
Se5 Se 0.50083 0.00000 1.00000 1.00000
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