Hf3(Be2Ga)2
Alexandria ALEXAlex-ID: agm005610399 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
Hf2Be2Ga Hf2Be17 HfGa
2023-06-26 18:06:15.042595
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005610399).
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 agm005610399
data_agm005610399
_cell_length_a 3.90690
_cell_length_b 5.11140
_cell_length_c 7.52584
_cell_angle_alpha 109.45004
_cell_angle_beta 90.00000
_cell_angle_gamma 112.46845
_cell_volume 129.55095
_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 0.65728 0.31456 0.67653 1.00000
Hf2 Hf 0.00000 0.00000 0.00000 1.00000
Hf3 Hf 0.34272 0.68544 0.32347 1.00000
Be1 Be 0.72985 0.45970 0.05309 1.00000
Be2 Be 0.27015 0.54030 0.94691 1.00000
Be3 Be 0.94179 0.88358 0.60104 1.00000
Be4 Be 0.05821 0.11642 0.39896 1.00000
Ga1 Ga 0.62390 0.24779 0.28581 1.00000
Ga2 Ga 0.37610 0.75221 0.71419 1.00000
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