Ac4I3N2
Alexandria ALEXAlex-ID: agm005648316 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1153_spg74
Ac3(IN)2 Ac2I2N Ac
2023-06-27 22:54:42.467303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648316).
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 agm005648316
data_agm005648316
_cell_length_a 8.03466
_cell_length_b 8.30871
_cell_length_c 12.20107
_cell_angle_alpha 109.90677
_cell_angle_beta 109.22387
_cell_angle_gamma 90.00000
_cell_volume 717.35284
_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 0.55073 0.37986 0.10145 1.00000
Ac2 Ac 0.94927 0.77840 0.89855 1.00000
Ac3 Ac 0.44927 0.62014 0.89855 1.00000
Ac4 Ac 0.05073 0.22160 0.10145 1.00000
Ac5 Ac 0.13775 0.13775 0.77550 1.00000
Ac6 Ac 0.36225 0.86225 0.22450 1.00000
Ac7 Ac 0.86225 0.86225 0.22450 1.00000
Ac8 Ac 0.63775 0.13775 0.77550 1.00000
I1 I 0.16291 0.61353 0.32582 1.00000
I2 I 0.33709 0.78771 0.67418 1.00000
I3 I 0.83709 0.38647 0.67418 1.00000
I4 I 0.66291 0.21229 0.32582 1.00000
I5 I 0.75000 0.85100 0.50000 1.00000
I6 I 0.25000 0.14900 0.50000 1.00000
N1 N 0.43889 0.31278 0.87778 1.00000
N2 N 0.06111 0.93500 0.12222 1.00000
N3 N 0.56111 0.68722 0.12222 1.00000
N4 N 0.93889 0.06500 0.87778 1.00000
Get direct link