RbNaN14
Alexandria ALEXAlex-ID: agm005758013 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_139_spg74
NaN4 RbN6 N2
2023-07-23 20:56:29.651419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758013).
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 agm005758013
data_agm005758013
_cell_length_a 9.69737
_cell_length_b 9.69737
_cell_length_c 9.69737
_cell_angle_alpha 129.92670
_cell_angle_beta 101.67157
_cell_angle_gamma 98.96851
_cell_volume 633.36565
_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 0.09419 0.75000 0.34419 1.00000
Rb2 Rb 0.90581 0.25000 0.65581 1.00000
Na1 Na 0.50000 0.00000 0.00000 1.00000
Na2 Na 0.50000 0.50000 0.50000 1.00000
N1 N 0.30124 0.29425 0.00699 1.00000
N2 N 0.69876 0.70575 0.99301 1.00000
N3 N 0.78727 0.79425 0.99301 1.00000
N4 N 0.21273 0.20575 0.00699 1.00000
N5 N 0.47954 0.88935 0.59019 1.00000
N6 N 0.52046 0.11065 0.40981 1.00000
N7 N 0.79916 0.38935 0.40981 1.00000
N8 N 0.20084 0.61065 0.59019 1.00000
N9 N 0.54741 0.86254 0.68487 1.00000
N10 N 0.45259 0.13746 0.31513 1.00000
N11 N 0.67767 0.36254 0.31513 1.00000
N12 N 0.32233 0.63746 0.68487 1.00000
N13 N 0.22032 0.63872 0.97368 1.00000
N14 N 0.77968 0.75335 0.41839 1.00000
N15 N 0.16504 0.13872 0.41839 1.00000
N16 N 0.83496 0.25335 0.97368 1.00000
N17 N 0.77968 0.36128 0.02632 1.00000
N18 N 0.22032 0.24665 0.58161 1.00000
N19 N 0.83496 0.86128 0.58161 1.00000
N20 N 0.16504 0.74665 0.02632 1.00000
N21 N 0.91468 0.32126 0.41168 1.00000
N22 N 0.08532 0.49700 0.40659 1.00000
N23 N 0.40959 0.82126 0.40659 1.00000
N24 N 0.59041 0.99700 0.41168 1.00000
N25 N 0.08532 0.67874 0.58832 1.00000
N26 N 0.91468 0.50300 0.59341 1.00000
N27 N 0.59041 0.17874 0.59341 1.00000
N28 N 0.40959 0.00300 0.58832 1.00000
