Na4I5N2
Alexandria ALEXAlex-ID: agm005676820 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_998_spg12
IN4 NaI I
2023-06-24 08:22:28.214542
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676820).
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 agm005676820
data_agm005676820
_cell_length_a 3.98807
_cell_length_b 9.40496
_cell_length_c 12.31412
_cell_angle_alpha 114.27985
_cell_angle_beta 99.36815
_cell_angle_gamma 102.18186
_cell_volume 395.07052
_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
Na1 Na 0.91061 0.22965 0.59576 1.00000
Na2 Na 0.92783 0.78182 0.07266 1.00000
Na3 Na 0.08939 0.77035 0.40424 1.00000
Na4 Na 0.07217 0.21818 0.92734 1.00000
I1 I 0.61827 0.41555 0.82373 1.00000
I2 I 0.38173 0.58445 0.17627 1.00000
I3 I 0.77806 0.91731 0.63578 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.22194 0.08269 0.36422 1.00000
N1 N 0.00877 0.53968 0.47660 1.00000
N2 N 0.99123 0.46032 0.52340 1.00000
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