Hf2FeB2Ir2Ru3
Alexandria ALEXAlex-ID: agm010835306 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E3_0_spg55
Hf2FeB2Ru5 Hf2B(Ir2Ru)2 HfB2 Fe2B
2024-08-25 00:08:12.612109
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010835306).
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 agm010835306
data_agm010835306
_cell_length_a 3.07460
_cell_length_b 9.39067
_cell_length_c 9.32051
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 269.10707
_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
Hf1 Hf 0.00000 0.32414 0.32493 1.00000
Hf2 Hf 0.00000 0.67586 0.67507 1.00000
Hf3 Hf 0.00000 0.82414 0.17507 1.00000
Hf4 Hf 0.00000 0.17586 0.82493 1.00000
Fe1 Fe 0.00000 0.50000 0.00000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.00000 0.87280 0.87930 1.00000
B2 B 0.00000 0.12720 0.12070 1.00000
B3 B 0.00000 0.37280 0.62070 1.00000
B4 B 0.00000 0.62720 0.37930 1.00000
Ir1 Ir 0.50000 0.42931 0.78484 1.00000
Ir2 Ir 0.50000 0.57069 0.21516 1.00000
Ir3 Ir 0.50000 0.92931 0.71516 1.00000
Ir4 Ir 0.50000 0.07069 0.28484 1.00000
Ru1 Ru 0.50000 0.71404 0.92958 1.00000
Ru2 Ru 0.50000 0.28596 0.07042 1.00000
Ru3 Ru 0.50000 0.78596 0.42958 1.00000
Ru4 Ru 0.50000 0.21404 0.57042 1.00000
Ru5 Ru 0.50000 0.50000 0.50000 1.00000
Ru6 Ru 0.50000 0.00000 0.00000 1.00000
Get direct link