LaCe2N3
Alexandria ALEXAlex-ID: agm020985752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_144_spg12
LaCeN2 CeN
2025-04-15 07:29:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020985752).
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 agm020985752
data_agm020985752
_cell_length_a 6.27056
_cell_length_b 6.27056
_cell_length_c 6.27792
_cell_angle_alpha 80.42828
_cell_angle_beta 99.57172
_cell_angle_gamma 59.99850
_cell_volume 201.60482
_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 0.66674 0.66674 0.50000 1.00000
La2 La 0.33326 0.33326 0.50000 1.00000
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.00000 0.00000 0.50000 1.00000
Ce3 Ce 0.83428 0.83428 0.00000 1.00000
Ce4 Ce 0.16572 0.16572 0.00000 1.00000
N1 N 0.77038 0.22962 0.76567 1.00000
N2 N 0.22962 0.77038 0.23433 1.00000
N3 N 0.08840 0.59439 0.76535 1.00000
N4 N 0.40561 0.91160 0.76535 1.00000
N5 N 0.59439 0.08840 0.23465 1.00000
N6 N 0.91160 0.40561 0.23465 1.00000
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