Li2Ce3(N2O)2
Alexandria ALEXAlex-ID: agm004489486 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_39_spg139
Ce9(NO7)2 Ce3N4 CeN2 Li2O
2022-06-18 01:45:08.187103
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004489486).
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 agm004489486
data_agm004489486
_cell_length_a 3.78225
_cell_length_b 3.78225
_cell_length_c 9.80682
_cell_angle_alpha 101.11843
_cell_angle_beta 101.11843
_cell_angle_gamma 90.00000
_cell_volume 134.97271
_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 0.39509 0.39509 0.79019 1.00000
Li2 Li 0.60491 0.60491 0.20981 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.17275 0.17275 0.34551 1.00000
Ce3 Ce 0.82725 0.82725 0.65449 1.00000
N1 N 0.41473 0.91473 0.82946 1.00000
N2 N 0.91473 0.41473 0.82946 1.00000
N3 N 0.08527 0.58527 0.17054 1.00000
N4 N 0.58527 0.08527 0.17054 1.00000
O1 O 0.29041 0.29041 0.58082 1.00000
O2 O 0.70959 0.70959 0.41918 1.00000
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