IN3
Alexandria ALEXAlex-ID: agm005290310 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1902_spg2
IN4 I
2023-05-07 09:10:48.477183
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290310).
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 agm005290310
data_agm005290310
_cell_length_a 5.76838
_cell_length_b 7.37787
_cell_length_c 8.55848
_cell_angle_alpha 87.61175
_cell_angle_beta 91.25862
_cell_angle_gamma 90.86047
_cell_volume 363.79465
_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
I1 I 0.48481 0.04941 0.74245 1.00000
I2 I 0.98429 0.94723 0.75735 1.00000
I3 I 0.51519 0.95059 0.25755 1.00000
I4 I 0.01571 0.05277 0.24265 1.00000
N1 N 0.03235 0.55775 0.44114 1.00000
N2 N 0.10620 0.47934 0.00956 1.00000
N3 N 0.89380 0.52066 0.99044 1.00000
N4 N 0.96765 0.44225 0.55886 1.00000
N5 N 0.60650 0.52155 0.49240 1.00000
N6 N 0.46577 0.54846 0.93538 1.00000
N7 N 0.24978 0.57080 0.91403 1.00000
N8 N 0.75215 0.41743 0.57759 1.00000
N9 N 0.39350 0.47845 0.50760 1.00000
N10 N 0.24785 0.58257 0.42241 1.00000
N11 N 0.53423 0.45154 0.06462 1.00000
N12 N 0.75022 0.42920 0.08597 1.00000
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