La3NO2
Alexandria ALEXAlex-ID: agm005642014 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
La3NO2
2023-08-24 01:08:48.248460
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642014).
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 agm005642014
data_agm005642014
_cell_length_a 5.19805
_cell_length_b 7.35750
_cell_length_c 11.06042
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99931
_cell_volume 423.00180
_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
La1 La 0.25004 0.62315 0.58178 1.00000
La2 La 0.25004 0.12315 0.91822 1.00000
La3 La 0.25010 0.62826 0.91886 1.00000
La4 La 0.25010 0.12826 0.58114 1.00000
La5 La 0.24986 0.62431 0.25045 1.00000
La6 La 0.24986 0.12431 0.24955 1.00000
La7 La 0.75014 0.87569 0.75045 1.00000
La8 La 0.75014 0.37569 0.74955 1.00000
La9 La 0.74990 0.87174 0.41886 1.00000
La10 La 0.74990 0.37174 0.08114 1.00000
La11 La 0.74996 0.87685 0.08178 1.00000
La12 La 0.74996 0.37685 0.41822 1.00000
N1 N 0.24998 0.87098 0.08103 1.00000
N2 N 0.24998 0.37098 0.41897 1.00000
N3 N 0.75002 0.62902 0.58103 1.00000
N4 N 0.75002 0.12902 0.91897 1.00000
O1 O 0.25028 0.87487 0.75350 1.00000
O2 O 0.25028 0.37487 0.74650 1.00000
O3 O 0.24984 0.87599 0.41610 1.00000
O4 O 0.24984 0.37599 0.08390 1.00000
O5 O 0.75016 0.62401 0.91610 1.00000
O6 O 0.75016 0.12401 0.58390 1.00000
O7 O 0.74972 0.62513 0.25350 1.00000
O8 O 0.74972 0.12513 0.24650 1.00000
