Hf3BeRh2
Alexandria ALEXAlex-ID: agm005751904 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
HfBeRh Hf2Rh
2023-08-07 06:35:37.250702
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751904).
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 agm005751904
data_agm005751904
_cell_length_a 4.24970
_cell_length_b 9.03227
_cell_length_c 10.81253
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 415.03264
_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 0.37769 0.05749 1.00000
Hf2 Hf 0.75000 0.62231 0.94251 1.00000
Hf3 Hf 0.75000 0.87769 0.44251 1.00000
Hf4 Hf 0.25000 0.12231 0.55749 1.00000
Hf5 Hf 0.25000 0.68787 0.21687 1.00000
Hf6 Hf 0.75000 0.31213 0.78313 1.00000
Hf7 Hf 0.75000 0.18787 0.28313 1.00000
Hf8 Hf 0.25000 0.81213 0.71687 1.00000
Hf9 Hf 0.25000 0.41385 0.38803 1.00000
Hf10 Hf 0.75000 0.58615 0.61197 1.00000
Hf11 Hf 0.75000 0.91385 0.11197 1.00000
Hf12 Hf 0.25000 0.08615 0.88803 1.00000
Be1 Be 0.25000 0.09523 0.13208 1.00000
Be2 Be 0.75000 0.90477 0.86792 1.00000
Be3 Be 0.75000 0.59523 0.36792 1.00000
Be4 Be 0.25000 0.40477 0.63208 1.00000
Rh1 Rh 0.25000 0.68762 0.47547 1.00000
Rh2 Rh 0.75000 0.31238 0.52453 1.00000
Rh3 Rh 0.75000 0.18762 0.02453 1.00000
Rh4 Rh 0.25000 0.81238 0.97547 1.00000
Rh5 Rh 0.25000 0.99334 0.32312 1.00000
Rh6 Rh 0.75000 0.00666 0.67688 1.00000
Rh7 Rh 0.75000 0.49334 0.17688 1.00000
Rh8 Rh 0.25000 0.50666 0.82312 1.00000
