Hf4BeGe
Alexandria ALEXAlex-ID: agm005877313 · Space group: I422 (#97)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2621_spg97
HfBe5 Hf2Ge Hf
2023-07-27 05:56:20.958451
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877313).
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 agm005877313
data_agm005877313
_cell_length_a 5.32080
_cell_length_b 5.32080
_cell_length_c 5.32080
_cell_angle_alpha 103.71349
_cell_angle_beta 103.71348
_cell_angle_gamma 121.72659
_cell_volume 111.91370
_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 0.59419 0.09419 0.18839 1.00000
Hf2 Hf 0.90581 0.40581 0.81161 1.00000
Hf3 Hf 0.09419 0.90581 0.50000 1.00000
Hf4 Hf 0.40581 0.59419 0.50000 1.00000
Be1 Be 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
