Hf2Be3Co
Alexandria ALEXAlex-ID: agm005845596 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_8_spg166
Hf2Co HfBe5 Hf3Be2Co5
2023-08-07 05:31:20.012457
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005845596).
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 agm005845596
data_agm005845596
_cell_length_a 4.77646
_cell_length_b 4.77646
_cell_length_c 4.75958
_cell_angle_alpha 90.00781
_cell_angle_beta 120.17363
_cell_angle_gamma 119.93505
_cell_volume 76.65111
_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 0.74889 0.37404 0.12293 1.00000
Hf2 Hf 0.25111 0.62596 0.87707 1.00000
Be1 Be 0.50000 0.50000 0.50000 1.00000
Be2 Be 0.00000 0.00000 0.50000 1.00000
Be3 Be 0.50000 0.00000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
