SmNO5
Alexandria ALEXAlex-ID: agm005236978 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_279_spg4
SmO9 Sm(NO3)3 SmO2
2023-05-06 18:39:12.918797
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236978).
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 agm005236978
data_agm005236978
_cell_length_a 3.64997
_cell_length_b 6.66689
_cell_length_c 8.57404
_cell_angle_alpha 91.69877
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 208.54840
_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
Sm1 Sm 0.24215 0.74533 0.39203 1.00000
Sm2 Sm 0.74215 0.25467 0.60797 1.00000
N1 N 0.61816 0.73427 0.08906 1.00000
N2 N 0.11816 0.26573 0.91094 1.00000
O1 O 0.73378 0.59425 0.54369 1.00000
O2 O 0.23378 0.40575 0.45631 1.00000
O3 O 0.24430 0.00147 0.58569 1.00000
O4 O 0.74430 0.99853 0.41431 1.00000
O5 O 0.74200 0.63176 0.20908 1.00000
O6 O 0.24200 0.36824 0.79092 1.00000
O7 O 0.73091 0.70037 0.95783 1.00000
O8 O 0.23091 0.29963 0.04217 1.00000
O9 O 0.37270 0.86371 0.12455 1.00000
O10 O 0.87270 0.13629 0.87545 1.00000
Get direct link