CoReN3
Alexandria ALEXAlex-ID: agm002291129 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6959_spg2
Co3ReN4 Re2N3 N2
2023-03-26 10:10:48.197930
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002291129).
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 agm002291129
data_agm002291129
_cell_length_a 5.42404
_cell_length_b 4.94886
_cell_length_c 4.84190
_cell_angle_alpha 60.76285
_cell_angle_beta 63.44926
_cell_angle_gamma 65.81017
_cell_volume 98.35381
_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 0.50125 0.54126 0.48998 1.00000
Re2 Re 0.00123 0.04055 0.96666 1.00000
Co1 Co 0.58597 0.79260 0.79834 1.00000
Co2 Co 0.08600 0.29274 0.32298 1.00000
N1 N 0.29511 0.89322 0.23290 1.00000
N2 N 0.32396 0.20837 0.57981 1.00000
N3 N 0.29351 0.56549 0.91112 1.00000
N4 N 0.82403 0.70845 0.38826 1.00000
N5 N 0.79400 0.06492 0.72984 1.00000
N6 N 0.79495 0.39240 0.08010 1.00000
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