Lu6N5O
Alexandria ALEXAlex-ID: agm082942007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
Lu6N5O
2025-02-25 07:13:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm082942007).
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 agm082942007
data_agm082942007
_cell_length_a 5.80389
_cell_length_b 5.80389
_cell_length_c 5.80404
_cell_angle_alpha 80.38645
_cell_angle_beta 99.61355
_cell_angle_gamma 60.02998
_cell_volume 159.65004
_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
Lu1 Lu 0.42312 0.91579 0.25223 1.00000
Lu2 Lu 0.57688 0.08421 0.74777 1.00000
Lu3 Lu 0.91579 0.42312 0.74777 1.00000
Lu4 Lu 0.08421 0.57688 0.25223 1.00000
Lu5 Lu 0.74573 0.25427 0.25479 1.00000
Lu6 Lu 0.25427 0.74573 0.74521 1.00000
N1 N 0.83324 0.83324 0.50000 1.00000
N2 N 0.16676 0.16676 0.50000 1.00000
N3 N 0.66691 0.66691 0.00000 1.00000
N4 N 0.33309 0.33309 0.00000 1.00000
N5 N 0.50000 0.50000 0.50000 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
Get direct link