Be3Zn2
Alexandria ALEXAlex-ID: agm005505728 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_528_spg43
Zn Be
2023-03-19 16:52:06.986634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505728).
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 agm005505728
data_agm005505728
_cell_length_a 8.16508
_cell_length_b 7.63845
_cell_length_c 4.19250
_cell_angle_alpha 81.69208
_cell_angle_beta 67.77196
_cell_angle_gamma 30.53595
_cell_volume 113.47153
_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
Be1 Be 0.87229 0.37853 0.30353 1.00000
Be2 Be 0.44564 0.30353 0.37853 1.00000
Be3 Be 0.87147 0.37771 0.80436 1.00000
Be4 Be 0.94647 0.80436 0.37771 1.00000
Be5 Be 0.87617 0.12383 0.12383 1.00000
Be6 Be 0.12617 0.37383 0.37383 1.00000
Zn1 Zn 0.27699 0.80145 0.39266 1.00000
Zn2 Zn 0.52890 0.39266 0.80145 1.00000
Zn3 Zn 0.44855 0.97301 0.72110 1.00000
Zn4 Zn 0.85734 0.72110 0.97301 1.00000
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