ZrRe3
Alexandria ALEXAlex-ID: agm005488618 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_48_spg74
Zr5Re24 ZrRe2
2023-03-19 05:37:53.034684
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488618).
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 agm005488618
data_agm005488618
_cell_length_a 7.17279
_cell_length_b 7.17279
_cell_length_c 7.17279
_cell_angle_alpha 143.34150
_cell_angle_beta 143.34150
_cell_angle_gamma 52.81313
_cell_volume 130.75136
_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
Zr1 Zr 0.62483 0.62483 0.00000 1.00000
Zr2 Zr 0.37517 0.37517 0.00000 1.00000
Re1 Re 0.00000 0.50000 0.50000 1.00000
Re2 Re 0.87191 0.87191 0.00000 1.00000
Re3 Re 0.12809 0.12809 0.00000 1.00000
Re4 Re 0.75000 0.25000 0.50000 1.00000
Re5 Re 0.25000 0.75000 0.50000 1.00000
Re6 Re 0.50000 0.00000 0.50000 1.00000
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