Hf2B(IrRh2)2
Alexandria ALEXAlex-ID: agm024682195 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_3_spg139
Hf2B(IrRh2)2
2024-10-03 00:46:45.903452
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024682195).
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 agm024682195
data_agm024682195
_cell_length_a 5.70740
_cell_length_b 5.70740
_cell_length_c 5.70740
_cell_angle_alpha 120.07372
_cell_angle_beta 120.07372
_cell_angle_gamma 89.87236
_cell_volume 131.31540
_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 0.25000 0.75000 0.50000 1.00000
Hf2 Hf 0.75000 0.25000 0.50000 1.00000
B1 B 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.74326 0.74326 0.00000 1.00000
Ir2 Ir 0.25674 0.25674 0.00000 1.00000
Rh1 Rh 0.74225 0.74225 0.48451 1.00000
Rh2 Rh 0.25775 0.74225 0.00000 1.00000
Rh3 Rh 0.25775 0.25775 0.51549 1.00000
Rh4 Rh 0.74225 0.25775 0.00000 1.00000
Get direct link