DyH8Ir2Rh
Alexandria ALEXAlex-ID: agm004894740 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_210_spg2
Ir8Rh Ir5Rh2 H8Rh3 DyH6Ir
2023-01-01 22:27:07.374962
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004894740).
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 agm004894740
data_agm004894740
_cell_length_a 4.63533
_cell_length_b 4.63533
_cell_length_c 6.20771
_cell_angle_alpha 68.07745
_cell_angle_beta 68.07745
_cell_angle_gamma 60.00000
_cell_volume 104.22551
_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 0.50000 0.50000 0.50000 1.00000
H1 H 0.17903 0.17903 0.46290 1.00000
H2 H 0.64319 0.26325 0.18791 1.00000
H3 H 0.82097 0.82097 0.53710 1.00000
H4 H 0.90565 0.64319 0.18791 1.00000
H5 H 0.09435 0.35681 0.81209 1.00000
H6 H 0.26325 0.90565 0.18791 1.00000
H7 H 0.73675 0.09435 0.81209 1.00000
H8 H 0.35681 0.73675 0.81209 1.00000
Ir1 Ir 0.27462 0.27462 0.17615 1.00000
Ir2 Ir 0.72538 0.72538 0.82385 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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