Dy3SbHIr
Alexandria ALEXAlex-ID: agm007652293 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_373_spg11
Dy4Ir3 Dy5Ir3 DyH2 DySb
2024-03-06 04:21:03.898021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007652293).
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 agm007652293
data_agm007652293
_cell_length_a 4.18547
_cell_length_b 8.20062
_cell_length_c 8.40434
_cell_angle_alpha 71.46595
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 273.50492
_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 0.75000 0.82300 0.56368 1.00000
Dy2 Dy 0.25000 0.82329 0.89491 1.00000
Dy3 Dy 0.25000 0.43151 0.75699 1.00000
Dy4 Dy 0.25000 0.17700 0.43632 1.00000
Dy5 Dy 0.75000 0.56849 0.24301 1.00000
Dy6 Dy 0.75000 0.17671 0.10509 1.00000
Sb1 Sb 0.25000 0.85975 0.26399 1.00000
Sb2 Sb 0.75000 0.14025 0.73601 1.00000
H1 H 0.75000 0.09830 0.38900 1.00000
H2 H 0.25000 0.90170 0.61100 1.00000
Ir1 Ir 0.75000 0.58346 0.88884 1.00000
Ir2 Ir 0.25000 0.41654 0.11116 1.00000
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