Hf2Be2Pd
Alexandria ALEXAlex-ID: agm033126085 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2_spg71
Hf2Be2Pd
2024-11-03 11:11:02.100885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033126085).
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 agm033126085
data_agm033126085
_cell_length_a 5.21061
_cell_length_b 5.21061
_cell_length_c 5.21061
_cell_angle_alpha 142.29605
_cell_angle_beta 118.00565
_cell_angle_gamma 74.88602
_cell_volume 74.76495
_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 0.21970 0.71970 0.50000 1.00000
Hf2 Hf 0.78030 0.28030 0.50000 1.00000
Be1 Be 0.19811 0.00000 0.19811 1.00000
Be2 Be 0.80189 0.00000 0.80189 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
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