CdNO3
Alexandria ALEXAlex-ID: agm003707239 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5146_spg14
CdNO Cd(NO3)2 CdO
2022-04-16 08:44:17.164327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003707239).
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 agm003707239
data_agm003707239
_cell_length_a 5.32959
_cell_length_b 5.77065
_cell_length_c 7.58260
_cell_angle_alpha 90.00000
_cell_angle_beta 94.42870
_cell_angle_gamma 90.00000
_cell_volume 232.50835
_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 0.96073 0.61119 0.24617 1.00000
Cd2 Cd 0.53927 0.11119 0.25383 1.00000
Cd3 Cd 0.03927 0.38881 0.75383 1.00000
Cd4 Cd 0.46073 0.88881 0.74617 1.00000
N1 N 0.42640 0.61504 0.06896 1.00000
N2 N 0.07360 0.11504 0.43104 1.00000
N3 N 0.57360 0.38496 0.93104 1.00000
N4 N 0.92640 0.88496 0.56896 1.00000
O1 O 0.11369 0.72278 0.58533 1.00000
O2 O 0.38631 0.22278 0.91467 1.00000
O3 O 0.88631 0.27722 0.41467 1.00000
O4 O 0.61369 0.77722 0.08533 1.00000
O5 O 0.87756 0.99087 0.71929 1.00000
O6 O 0.62244 0.49087 0.78071 1.00000
O7 O 0.12244 0.00913 0.28071 1.00000
O8 O 0.37756 0.50913 0.21929 1.00000
O9 O 0.72399 0.81108 0.47034 1.00000
O10 O 0.77601 0.31108 0.02966 1.00000
O11 O 0.27601 0.18892 0.52966 1.00000
O12 O 0.22399 0.68892 0.97034 1.00000
Get direct link