Li5OsN4
Alexandria ALEXAlex-ID: agm006110124 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_198_spg12
Li5OsN4
2023-10-11 08:17:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006110124).
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
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# CIF generated by HEAS from Alexandria entry agm006110124
data_agm006110124
_cell_length_a 3.13542
_cell_length_b 5.23890
_cell_length_c 7.08252
_cell_angle_alpha 124.42638
_cell_angle_beta 102.78831
_cell_angle_gamma 90.00000
_cell_volume 92.44267
_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
Li1 Li 0.19208 0.28120 0.38416 1.00000
Li2 Li 0.17198 0.79955 0.34397 1.00000
Li3 Li 0.82802 0.20045 0.65603 1.00000
Li4 Li 0.50000 0.50000 0.00000 1.00000
Li5 Li 0.80792 0.71880 0.61584 1.00000
Os1 Os 0.49996 0.00000 0.00000 1.00000
N1 N 0.64627 0.01672 0.29254 1.00000
N2 N 0.06383 0.31983 0.12762 1.00000
N3 N 0.35373 0.98328 0.70746 1.00000
N4 N 0.93621 0.68017 0.87238 1.00000
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