Re3C
Alexandria ALEXAlex-ID: agm005496942 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1430_spg139
Re2C Re
2023-03-18 17:28:51.376953
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005496942).
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 agm005496942
data_agm005496942
_cell_length_a 7.22796
_cell_length_b 7.22796
_cell_length_c 7.22796
_cell_angle_alpha 146.49249
_cell_angle_beta 146.49249
_cell_angle_gamma 48.11582
_cell_volume 114.60611
_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 0.50000 0.50000 1.00000
Re2 Re 0.50000 0.00000 0.50000 1.00000
Re3 Re 0.75000 0.25000 0.50000 1.00000
Re4 Re 0.25000 0.75000 0.50000 1.00000
Re5 Re 0.85703 0.85703 0.00000 1.00000
Re6 Re 0.14297 0.14297 0.00000 1.00000
C1 C 0.55487 0.55487 0.00000 1.00000
C2 C 0.44513 0.44513 0.00000 1.00000
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