NaC2NO3
Alexandria ALEXAlex-ID: agm005246739 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3_161_spg14
Na2CO3 CO2 N2 C
2023-05-11 05:34:52.280427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246739).
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 agm005246739
data_agm005246739
_cell_length_a 5.39764
_cell_length_b 3.73862
_cell_length_c 20.87020
_cell_angle_alpha 78.57730
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 412.81340
_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
Na1 Na 0.21842 0.65389 0.31235 1.00000
Na2 Na 0.71842 0.34611 0.18765 1.00000
Na3 Na 0.78158 0.34611 0.68765 1.00000
Na4 Na 0.28158 0.65389 0.81235 1.00000
C1 C 0.12847 0.13052 0.09197 1.00000
C2 C 0.62847 0.86948 0.40803 1.00000
C3 C 0.87153 0.86948 0.90803 1.00000
C4 C 0.37153 0.13052 0.59197 1.00000
C5 C 0.20795 0.90547 0.16082 1.00000
C6 C 0.70795 0.09453 0.33918 1.00000
C7 C 0.79205 0.09453 0.83918 1.00000
C8 C 0.29205 0.90547 0.66082 1.00000
N1 N 0.24564 0.03951 0.04121 1.00000
N2 N 0.74564 0.96049 0.45879 1.00000
N3 N 0.75436 0.96049 0.95879 1.00000
N4 N 0.25436 0.03951 0.54121 1.00000
O1 O 0.96004 0.36423 0.08968 1.00000
O2 O 0.46004 0.63577 0.41032 1.00000
O3 O 0.03996 0.63577 0.91032 1.00000
O4 O 0.53996 0.36423 0.58968 1.00000
O5 O 0.43858 0.85827 0.16744 1.00000
O6 O 0.93858 0.14173 0.33256 1.00000
O7 O 0.56142 0.14173 0.83256 1.00000
O8 O 0.06142 0.85827 0.66744 1.00000
O9 O 0.03852 0.81373 0.20238 1.00000
O10 O 0.53852 0.18627 0.29762 1.00000
O11 O 0.96148 0.18627 0.79762 1.00000
O12 O 0.46148 0.81373 0.70238 1.00000
