ScRe
Alexandria ALEXAlex-ID: agm005444997 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_37_spg8
ScRe2 Sc
2023-03-21 20:56:11.461919
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005444997).
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 agm005444997
data_agm005444997
_cell_length_a 5.34721
_cell_length_b 5.34721
_cell_length_c 7.13187
_cell_angle_alpha 70.27490
_cell_angle_beta 70.27490
_cell_angle_gamma 34.44076
_cell_volume 107.88767
_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
Sc1 Sc 0.17179 0.17179 0.20501 1.00000
Sc2 Sc 0.50000 0.50000 0.00000 1.00000
Sc3 Sc 0.82821 0.82821 0.79499 1.00000
Re1 Re 0.16014 0.16014 0.63788 1.00000
Re2 Re 0.50000 0.50000 0.50000 1.00000
Re3 Re 0.83986 0.83986 0.36212 1.00000
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