Hf2B(RuRh2)2
Alexandria ALEXAlex-ID: agm024653288 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_166_spg139
HfBRu3 Hf2BRh6 HfRu Ru
2024-11-09 12:06:43.549663
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024653288).
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
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# CIF generated by HEAS from Alexandria entry agm024653288
data_agm024653288
_cell_length_a 5.70316
_cell_length_b 5.70316
_cell_length_c 5.70316
_cell_angle_alpha 120.41868
_cell_angle_beta 120.41868
_cell_angle_gamma 89.27634
_cell_volume 130.32749
_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
Ru1 Ru 0.74370 0.74370 0.00000 1.00000
Ru2 Ru 0.25630 0.25630 0.00000 1.00000
Rh1 Rh 0.25828 0.25828 0.51656 1.00000
Rh2 Rh 0.74172 0.25828 0.00000 1.00000
Rh3 Rh 0.74172 0.74172 0.48344 1.00000
Rh4 Rh 0.25828 0.74172 0.00000 1.00000
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