Re4C5
Alexandria ALEXAlex-ID: agm005525545 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_16_spg193
Re2C C
2023-08-03 05:53:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005525545).
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 agm005525545
data_agm005525545
_cell_length_a 5.90172
_cell_length_b 5.90172
_cell_length_c 6.10773
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 184.23351
_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 0.00000 0.00000 0.00000 1.00000
Re2 Re 0.00000 0.00000 0.50000 1.00000
Re3 Re 0.00000 0.39898 0.25000 1.00000
Re4 Re 0.60102 0.60102 0.25000 1.00000
Re5 Re 0.39898 0.00000 0.25000 1.00000
Re6 Re 0.00000 0.60102 0.75000 1.00000
Re7 Re 0.39898 0.39898 0.75000 1.00000
Re8 Re 0.60102 0.00000 0.75000 1.00000
C1 C 0.00000 0.74682 0.25000 1.00000
C2 C 0.25318 0.25318 0.25000 1.00000
C3 C 0.74682 0.00000 0.25000 1.00000
C4 C 0.00000 0.25318 0.75000 1.00000
C5 C 0.74682 0.74682 0.75000 1.00000
C6 C 0.25318 0.00000 0.75000 1.00000
C7 C 0.66667 0.33333 0.00000 1.00000
C8 C 0.33333 0.66667 0.50000 1.00000
C9 C 0.33333 0.66667 0.00000 1.00000
C10 C 0.66667 0.33333 0.50000 1.00000
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