Zn4Re
Alexandria ALEXAlex-ID: agm005408639 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_261_spg139
Re Zn
2023-03-17 22:07:10.450947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005408639).
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 agm005408639
data_agm005408639
_cell_length_a 6.58529
_cell_length_b 6.58529
_cell_length_c 6.58529
_cell_angle_alpha 149.12899
_cell_angle_beta 149.12899
_cell_angle_gamma 44.22148
_cell_volume 74.96776
_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
Zn1 Zn 0.25000 0.75000 0.50000 1.00000
Zn2 Zn 0.59616 0.59616 0.00000 1.00000
Zn3 Zn 0.40384 0.40384 0.00000 1.00000
Zn4 Zn 0.75000 0.25000 0.50000 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
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