LiIN4
Alexandria ALEXAlex-ID: agm005248682 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3982_spg62
LiIN2 IN4 LiN3
2023-05-09 22:13:20.024731
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248682).
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 agm005248682
data_agm005248682
_cell_length_a 5.86471
_cell_length_b 8.58641
_cell_length_c 12.48625
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 628.76767
_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
Li1 Li 0.75000 0.49732 0.73738 1.00000
Li2 Li 0.75000 0.99732 0.76262 1.00000
Li3 Li 0.25000 0.50268 0.26262 1.00000
Li4 Li 0.25000 0.00268 0.23738 1.00000
I1 I 0.75000 0.24416 0.02149 1.00000
I2 I 0.75000 0.74416 0.47851 1.00000
I3 I 0.25000 0.75584 0.97851 1.00000
I4 I 0.25000 0.25584 0.52149 1.00000
N1 N 0.75000 0.03413 0.29741 1.00000
N2 N 0.75000 0.53413 0.20259 1.00000
N3 N 0.25000 0.96587 0.70259 1.00000
N4 N 0.25000 0.46587 0.79741 1.00000
N5 N 0.75000 0.08259 0.91550 1.00000
N6 N 0.75000 0.58259 0.58450 1.00000
N7 N 0.25000 0.91741 0.08450 1.00000
N8 N 0.25000 0.41741 0.41550 1.00000
N9 N 0.04855 0.46598 0.79926 1.00000
N10 N 0.45145 0.96598 0.70074 1.00000
N11 N 0.54855 0.53402 0.20074 1.00000
N12 N 0.95145 0.03402 0.29926 1.00000
N13 N 0.95145 0.53402 0.20074 1.00000
N14 N 0.54855 0.03402 0.29926 1.00000
N15 N 0.45145 0.46598 0.79926 1.00000
N16 N 0.04855 0.96598 0.70074 1.00000
