SmRe2N5
Alexandria ALEXAlex-ID: agm003478377 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_62_spg140
Re2N3 Sm3Re5N12 N2
2022-02-22 11:05:57.629075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003478377).
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 agm003478377
data_agm003478377
_cell_length_a 5.72297
_cell_length_b 5.72297
_cell_length_c 6.72679
_cell_angle_alpha 115.17515
_cell_angle_beta 115.17515
_cell_angle_gamma 90.00000
_cell_volume 175.99205
_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
Sm1 Sm 0.75000 0.75000 0.50000 1.00000
Sm2 Sm 0.25000 0.25000 0.50000 1.00000
Re1 Re 0.15363 0.34637 0.00000 1.00000
Re2 Re 0.65363 0.15364 1.00000 1.00000
Re3 Re 0.34636 0.84637 0.00000 1.00000
Re4 Re 0.84636 0.65364 1.00000 1.00000
N1 N 0.52560 0.73282 0.75842 1.00000
N2 N 0.76718 0.97440 0.24158 1.00000
N3 N 0.00000 0.00000 0.00000 1.00000
N4 N 0.50000 0.50000 0.00000 1.00000
N5 N 0.23282 0.02560 0.75842 1.00000
N6 N 0.73282 0.23282 0.75842 1.00000
N7 N 0.02560 0.52560 0.75842 1.00000
N8 N 0.26718 0.76718 0.24158 1.00000
N9 N 0.97440 0.47440 0.24158 1.00000
N10 N 0.47440 0.26718 0.24158 1.00000
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