DySe3Br5
Alexandria ALEXAlex-ID: agm072199837 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1272_spg1
SeBr Se DyBr3
2024-09-24 22:07:42.217529
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072199837).
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 agm072199837
data_agm072199837
_cell_length_a 4.27587
_cell_length_b 7.75554
_cell_length_c 12.42389
_cell_angle_alpha 103.82347
_cell_angle_beta 123.36830
_cell_angle_gamma 83.57825
_cell_volume 334.01689
_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 0.13305 0.92465 0.99593 1.00000
Se1 Se 0.06292 0.16966 0.41158 1.00000
Se2 Se 0.09241 0.21063 0.60657 1.00000
Se3 Se 0.53934 0.42342 0.55234 1.00000
Br1 Br 0.58057 0.58616 0.42208 1.00000
Br2 Br 0.69618 0.17416 0.06725 1.00000
Br3 Br 0.60131 0.67388 0.94360 1.00000
Br4 Br 0.55783 0.87649 0.26003 1.00000
Br5 Br 0.73639 0.96096 0.74062 1.00000
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