CoI7N6
Alexandria ALEXAlex-ID: agm005276018 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C7_52_spg12
CoI3 IN4 I
2023-05-06 19:35:22.851676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005276018).
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 agm005276018
data_agm005276018
_cell_length_a 7.05509
_cell_length_b 7.05509
_cell_length_c 12.06477
_cell_angle_alpha 69.80750
_cell_angle_beta 69.80750
_cell_angle_gamma 43.18937
_cell_volume 381.63016
_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
Co1 Co 0.50000 0.50000 0.50000 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
I2 I 0.78009 0.78009 0.40164 1.00000
I3 I 0.21991 0.21991 0.59836 1.00000
I4 I 0.08075 0.08075 0.32316 1.00000
I5 I 0.91925 0.91925 0.67684 1.00000
I6 I 0.33395 0.33395 0.00207 1.00000
I7 I 0.66605 0.66605 0.99793 1.00000
N1 N 0.64218 0.64218 0.37110 1.00000
N2 N 0.35782 0.35782 0.62890 1.00000
N3 N 0.79321 0.29151 0.58766 1.00000
N4 N 0.29151 0.79321 0.58766 1.00000
N5 N 0.20679 0.70849 0.41234 1.00000
N6 N 0.70849 0.20679 0.41234 1.00000
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