HoHfIr
Alexandria ALEXAlex-ID: agm005677578 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
Ho7Ir3 HoHf3Ir2 Ho5Ir3
2023-06-17 16:28:31.831751
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677578).
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 agm005677578
data_agm005677578
_cell_length_a 7.03462
_cell_length_b 8.39469
_cell_length_c 8.39469
_cell_angle_alpha 66.34964
_cell_angle_beta 65.22901
_cell_angle_gamma 65.22901
_cell_volume 393.10716
_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
Ho1 Ho 0.16901 0.04198 0.54198 1.00000
Ho2 Ho 0.75298 0.95802 0.45802 1.00000
Ho3 Ho 0.33759 0.75002 0.25002 1.00000
Ho4 Ho 0.33763 0.24998 0.74998 1.00000
Ho5 Ho 0.75321 0.45799 0.95799 1.00000
Ho6 Ho 0.16919 0.54201 0.04201 1.00000
Hf1 Hf 0.00717 0.00000 1.00000 1.00000
Hf2 Hf 0.00717 0.50000 0.50000 1.00000
Hf3 Hf 0.75394 0.37268 0.37256 1.00000
Hf4 Hf 0.49918 0.62732 0.62744 1.00000
Hf5 Hf 0.49918 0.12744 0.12732 1.00000
Hf6 Hf 0.75394 0.87256 0.87268 1.00000
Ir1 Ir 0.75227 0.25004 0.75004 1.00000
Ir2 Ir 0.75235 0.74996 0.24996 1.00000
Ir3 Ir 0.08743 0.16629 0.16625 1.00000
Ir4 Ir 0.41997 0.83371 0.83375 1.00000
Ir5 Ir 0.41997 0.33375 0.33371 1.00000
Ir6 Ir 0.08743 0.66625 0.66629 1.00000
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