Zn3Re5
Alexandria ALEXAlex-ID: agm005522326 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_99_spg140
Re Zn
2023-07-31 15:21:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005522326).
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 agm005522326
data_agm005522326
_cell_length_a 7.34312
_cell_length_b 4.84970
_cell_length_c 7.34669
_cell_angle_alpha 70.72756
_cell_angle_beta 96.22763
_cell_angle_gamma 109.18772
_cell_volume 233.24830
_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
Re1 Re 0.82632 0.06688 0.69045 1.00000
Re2 Re 0.30996 0.24200 0.82589 1.00000
Re3 Re 0.50025 0.25032 0.50000 1.00000
Re4 Re 0.82632 0.25733 0.30955 1.00000
Re5 Re 0.69088 0.43294 0.82590 1.00000
Re6 Re 0.30996 0.56789 0.17411 1.00000
Re7 Re 0.17452 0.74351 0.69045 1.00000
Re8 Re 0.50056 0.75050 0.50000 1.00000
Re9 Re 0.69088 0.75883 0.17410 1.00000
Re10 Re 0.17452 0.93396 0.30955 1.00000
Zn1 Zn 0.50041 0.17944 0.14197 1.00000
Zn2 Zn 0.00044 0.25064 0.99954 1.00000
Zn3 Zn 0.14239 0.32284 0.50000 1.00000
Zn4 Zn 0.85845 0.67801 0.50000 1.00000
Zn5 Zn 0.00044 0.75018 0.00046 1.00000
Zn6 Zn 0.50041 0.82141 0.85803 1.00000
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