Ac4I5N2
Alexandria ALEXAlex-ID: agm005656586 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_975_spg12
Ac2I3N Ac2I2N
2023-06-22 08:23:48.686381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656586).
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 agm005656586
data_agm005656586
_cell_length_a 4.15924
_cell_length_b 8.35501
_cell_length_c 13.52500
_cell_angle_alpha 116.44358
_cell_angle_beta 98.84495
_cell_angle_gamma 90.00000
_cell_volume 414.57427
_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
Ac1 Ac 0.39244 0.13490 0.78488 1.00000
Ac2 Ac 0.95175 0.60358 0.90350 1.00000
Ac3 Ac 0.60756 0.86510 0.21512 1.00000
Ac4 Ac 0.04825 0.39642 0.09650 1.00000
I1 I 0.81162 0.24851 0.62324 1.00000
I2 I 0.18838 0.75149 0.37676 1.00000
I3 I 0.84775 0.77401 0.69550 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.15225 0.22599 0.30450 1.00000
N1 N 0.94950 0.30677 0.89900 1.00000
N2 N 0.05050 0.69323 0.10100 1.00000
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