Dy5Tl2Ir
Alexandria ALEXAlex-ID: agm044069770 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_36_spg62
Dy5Tl2Ir
2024-10-03 19:10:55.310279
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044069770).
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 agm044069770
data_agm044069770
_cell_length_a 7.57440
_cell_length_b 9.22846
_cell_length_c 12.53232
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 876.00989
_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 0.54464 0.25000 0.00067 1.00000
Dy2 Dy 0.45536 0.75000 0.99933 1.00000
Dy3 Dy 0.04464 0.75000 0.49933 1.00000
Dy4 Dy 0.95536 0.25000 0.50067 1.00000
Dy5 Dy 0.82278 0.96639 0.07655 1.00000
Dy6 Dy 0.17722 0.03361 0.92345 1.00000
Dy7 Dy 0.32278 0.03361 0.42345 1.00000
Dy8 Dy 0.17722 0.46639 0.92345 1.00000
Dy9 Dy 0.67722 0.96639 0.57655 1.00000
Dy10 Dy 0.82278 0.53361 0.07655 1.00000
Dy11 Dy 0.67722 0.53361 0.57655 1.00000
Dy12 Dy 0.32278 0.46639 0.42345 1.00000
Dy13 Dy 0.64479 0.25000 0.27871 1.00000
Dy14 Dy 0.35521 0.75000 0.72129 1.00000
Dy15 Dy 0.14479 0.75000 0.22129 1.00000
Dy16 Dy 0.85521 0.25000 0.77871 1.00000
Dy17 Dy 0.11172 0.25000 0.19431 1.00000
Dy18 Dy 0.88828 0.75000 0.80569 1.00000
Dy19 Dy 0.61172 0.75000 0.30569 1.00000
Dy20 Dy 0.38828 0.25000 0.69431 1.00000
Tl1 Tl 0.91077 0.50495 0.33483 1.00000
Tl2 Tl 0.08923 0.49505 0.66517 1.00000
Tl3 Tl 0.41077 0.49505 0.16517 1.00000
Tl4 Tl 0.08923 0.00495 0.66517 1.00000
Tl5 Tl 0.58923 0.50495 0.83483 1.00000
Tl6 Tl 0.91077 0.99505 0.33483 1.00000
Tl7 Tl 0.58923 0.99505 0.83483 1.00000
Tl8 Tl 0.41077 0.00495 0.16517 1.00000
Ir1 Ir 0.92613 0.25000 0.00096 1.00000
Ir2 Ir 0.07387 0.75000 0.99904 1.00000
Ir3 Ir 0.42613 0.75000 0.49904 1.00000
Ir4 Ir 0.57387 0.25000 0.50096 1.00000
