Zr4BeZn3
Alexandria ALEXAlex-ID: agm005991270 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_38_spg123
ZrBe5 Zr ZrZn
2023-09-14 20:27:23.125134
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991270).
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 agm005991270
data_agm005991270
_cell_length_a 3.28630
_cell_length_b 3.28630
_cell_length_c 13.32529
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 143.90974
_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 0.50000 0.50000 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.24318 1.00000
Zn2 Zn 0.50000 0.50000 0.50000 1.00000
Zn3 Zn 0.50000 0.50000 0.75682 1.00000
Zr1 Zr 0.00000 0.00000 0.88401 1.00000
Zr2 Zr 0.00000 0.00000 0.11599 1.00000
Zr3 Zr 0.00000 0.00000 0.37123 1.00000
Zr4 Zr 0.00000 0.00000 0.62877 1.00000
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