CdI3NO
Alexandria ALEXAlex-ID: agm005243295 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_862_spg26
Cd(IO3)2 IN4 CdI2 I
2023-05-10 05:47:54.447413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243295).
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 agm005243295
data_agm005243295
_cell_length_a 7.31663
_cell_length_b 8.41391
_cell_length_c 17.51486
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1078.24156
_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
Cd1 Cd 0.00000 0.70109 0.48584 1.00000
Cd2 Cd 0.00000 0.29891 0.98584 1.00000
Cd3 Cd 0.50000 0.70246 0.48621 1.00000
Cd4 Cd 0.50000 0.29754 0.98621 1.00000
I1 I 0.00000 0.03176 0.48331 1.00000
I2 I 0.00000 0.96824 0.98331 1.00000
I3 I 0.50000 0.03295 0.48624 1.00000
I4 I 0.50000 0.96705 0.98624 1.00000
I5 I 0.50000 0.56443 0.34142 1.00000
I6 I 0.50000 0.43557 0.84142 1.00000
I7 I 0.00000 0.55997 0.34176 1.00000
I8 I 0.00000 0.44003 0.84176 1.00000
I9 I 0.74998 0.55776 0.59070 1.00000
I10 I 0.25002 0.55776 0.59070 1.00000
I11 I 0.25002 0.44224 0.09070 1.00000
I12 I 0.74998 0.44224 0.09070 1.00000
N1 N 0.74702 0.21992 0.34288 1.00000
N2 N 0.25298 0.21992 0.34288 1.00000
N3 N 0.25298 0.78008 0.84288 1.00000
N4 N 0.74702 0.78008 0.84288 1.00000
O1 O 0.91574 0.95829 0.20930 1.00000
O2 O 0.08426 0.95829 0.20930 1.00000
O3 O 0.08426 0.04171 0.70930 1.00000
O4 O 0.91574 0.04171 0.70930 1.00000
