LaNO6
Alexandria ALEXAlex-ID: agm005281232 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_551_spg2
NO4 LaO3 LaNO4
2023-05-07 11:53:31.490340
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281232).
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 agm005281232
data_agm005281232
_cell_length_a 4.45397
_cell_length_b 4.78421
_cell_length_c 10.86430
_cell_angle_alpha 92.64447
_cell_angle_beta 104.57896
_cell_angle_gamma 86.02658
_cell_volume 223.41274
_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 0.81283 0.70208 0.61868 1.00000
La2 La 0.18717 0.29792 0.38132 1.00000
N1 N 0.32829 0.19973 0.83070 1.00000
N2 N 0.67171 0.80027 0.16930 1.00000
O1 O 0.77455 0.82743 0.85792 1.00000
O2 O 0.22545 0.17257 0.14208 1.00000
O3 O 0.30345 0.97530 0.75955 1.00000
O4 O 0.69655 0.02470 0.24045 1.00000
O5 O 0.31330 0.49490 0.59754 1.00000
O6 O 0.68670 0.50510 0.40246 1.00000
O7 O 0.22809 0.83345 0.46709 1.00000
O8 O 0.77191 0.16655 0.53291 1.00000
O9 O 0.58085 0.23889 0.91015 1.00000
O10 O 0.41915 0.76111 0.08985 1.00000
O11 O 0.10145 0.37353 0.81856 1.00000
O12 O 0.89855 0.62647 0.18144 1.00000
Get direct link