RbLiReN3
Alexandria ALEXAlex-ID: agm005028958 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_390_spg11
RbN6 Re3N Rb2ReN3 Li5ReN4
2022-07-06 01:45:30.079889
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005028958).
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 agm005028958
data_agm005028958
_cell_length_a 5.45883
_cell_length_b 5.72237
_cell_length_c 7.03556
_cell_angle_alpha 113.99610
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 200.77867
_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
Rb1 Rb 0.75000 0.26230 0.52459 1.00000
Rb2 Rb 0.25000 0.73770 0.47541 1.00000
Li1 Li 0.25000 0.47565 0.95130 1.00000
Li2 Li 0.75000 0.52435 0.04870 1.00000
Re1 Re 0.25000 0.04543 0.09086 1.00000
Re2 Re 0.75000 0.95457 0.90914 1.00000
N1 N 0.25000 0.18158 0.36315 1.00000
N2 N 0.00000 0.23029 1.00000 1.00000
N3 N 0.50000 0.76971 0.00000 1.00000
N4 N 0.50000 0.23029 1.00000 1.00000
N5 N 0.00000 0.76971 0.00000 1.00000
N6 N 0.75000 0.81842 0.63685 1.00000
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