Dy5Bi2Ir
Alexandria ALEXAlex-ID: agm043663710 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_36_spg62
Dy5Bi2Ir
2024-09-26 03:27:08.750216
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043663710).
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 agm043663710
data_agm043663710
_cell_length_a 8.04368
_cell_length_b 8.98028
_cell_length_c 12.51539
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 904.04279
_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 0.05497 0.75000 0.00142 1.00000
Dy2 Dy 0.94503 0.25000 0.99858 1.00000
Dy3 Dy 0.55497 0.25000 0.49858 1.00000
Dy4 Dy 0.44503 0.75000 0.50142 1.00000
Dy5 Dy 0.32460 0.45584 0.06556 1.00000
Dy6 Dy 0.67540 0.54416 0.93444 1.00000
Dy7 Dy 0.82460 0.54416 0.43444 1.00000
Dy8 Dy 0.67540 0.95584 0.93444 1.00000
Dy9 Dy 0.17540 0.45584 0.56556 1.00000
Dy10 Dy 0.32460 0.04416 0.06556 1.00000
Dy11 Dy 0.17540 0.04416 0.56556 1.00000
Dy12 Dy 0.82460 0.95584 0.43444 1.00000
Dy13 Dy 0.16010 0.75000 0.29364 1.00000
Dy14 Dy 0.83990 0.25000 0.70636 1.00000
Dy15 Dy 0.66010 0.25000 0.20636 1.00000
Dy16 Dy 0.33990 0.75000 0.79364 1.00000
Dy17 Dy 0.62194 0.75000 0.19365 1.00000
Dy18 Dy 0.37806 0.25000 0.80635 1.00000
Dy19 Dy 0.12194 0.25000 0.30635 1.00000
Dy20 Dy 0.87806 0.75000 0.69365 1.00000
Bi1 Bi 0.43165 0.00992 0.32731 1.00000
Bi2 Bi 0.56835 0.99008 0.67269 1.00000
Bi3 Bi 0.93165 0.99008 0.17269 1.00000
Bi4 Bi 0.56835 0.50992 0.67269 1.00000
Bi5 Bi 0.06835 0.00992 0.82731 1.00000
Bi6 Bi 0.43165 0.49008 0.32731 1.00000
Bi7 Bi 0.06835 0.49008 0.82731 1.00000
Bi8 Bi 0.93165 0.50992 0.17269 1.00000
Ir1 Ir 0.42593 0.75000 0.01014 1.00000
Ir2 Ir 0.57407 0.25000 0.98986 1.00000
Ir3 Ir 0.92593 0.25000 0.48986 1.00000
Ir4 Ir 0.07407 0.75000 0.51014 1.00000
