Sr2Re3
Alexandria ALEXAlex-ID: agm005506914 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_134_spg43
Re Sr
2023-03-20 13:14:12.319442
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506914).
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 agm005506914
data_agm005506914
_cell_length_a 9.23391
_cell_length_b 8.48094
_cell_length_c 5.78312
_cell_angle_alpha 78.17240
_cell_angle_beta 64.02125
_cell_angle_gamma 37.80635
_cell_volume 241.24473
_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
Sr1 Sr 0.50791 0.39193 0.81342 1.00000
Sr2 Sr 0.28674 0.81342 0.39193 1.00000
Sr3 Sr 0.85807 0.74209 0.96326 1.00000
Sr4 Sr 0.43658 0.96326 0.74209 1.00000
Re1 Re 0.45068 0.29574 0.37417 1.00000
Re2 Re 0.87941 0.37417 0.29574 1.00000
Re3 Re 0.95426 0.79932 0.37059 1.00000
Re4 Re 0.87583 0.37059 0.79932 1.00000
Re5 Re 0.87527 0.12473 0.12473 1.00000
Re6 Re 0.12527 0.37473 0.37473 1.00000
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