Dy3CSe2
Alexandria ALEXAlex-ID: agm033351635 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Dy3CSe2
2024-12-10 14:54:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033351635).
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 agm033351635
data_agm033351635
_cell_length_a 12.87634
_cell_length_b 12.27580
_cell_length_c 6.84439
_cell_angle_alpha 79.11212
_cell_angle_beta 69.42275
_cell_angle_gamma 31.46513
_cell_volume 514.89297
_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 0.65824 0.15994 0.87827 1.00000
Dy2 Dy 0.15994 0.65824 0.30354 1.00000
Dy3 Dy 0.59176 0.09006 0.37173 1.00000
Dy4 Dy 0.09006 0.59176 0.94646 1.00000
Dy5 Dy 0.45789 0.04211 0.04211 1.00000
Dy6 Dy 0.04211 0.45789 0.45789 1.00000
Dy7 Dy 0.94646 0.37173 0.09006 1.00000
Dy8 Dy 0.37173 0.94646 0.59176 1.00000
Dy9 Dy 0.30354 0.87827 0.15994 1.00000
Dy10 Dy 0.87827 0.30354 0.65824 1.00000
Dy11 Dy 0.79211 0.20789 0.20789 1.00000
Dy12 Dy 0.20789 0.79211 0.79211 1.00000
C1 C 0.91607 0.91607 0.08393 1.00000
C2 C 0.33393 0.33393 0.16607 1.00000
C3 C 0.16607 0.16607 0.33393 1.00000
C4 C 0.08393 0.08393 0.91607 1.00000
Se1 Se 0.99607 0.99607 0.50393 1.00000
Se2 Se 0.42078 0.42078 0.57922 1.00000
Se3 Se 0.82922 0.82922 0.67078 1.00000
Se4 Se 0.25393 0.25393 0.74607 1.00000
Se5 Se 0.74607 0.74607 0.25393 1.00000
Se6 Se 0.67078 0.67078 0.82922 1.00000
Se7 Se 0.57922 0.57922 0.42078 1.00000
Se8 Se 0.50393 0.50393 0.99607 1.00000
