CePa2N3
Alexandria ALEXAlex-ID: agm015226594 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1824_spg62
CePa5N6 CePaN2
2025-02-07 11:51:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015226594).
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 agm015226594
data_agm015226594
_cell_length_a 4.98325
_cell_length_b 7.02794
_cell_length_c 10.55930
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 369.80747
_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
Ce1 Ce 0.75000 0.37515 0.08089 1.00000
Ce2 Ce 0.75000 0.87515 0.41911 1.00000
Ce3 Ce 0.25000 0.12485 0.58089 1.00000
Ce4 Ce 0.25000 0.62485 0.91911 1.00000
Pa1 Pa 0.75000 0.37506 0.75171 1.00000
Pa2 Pa 0.75000 0.87506 0.74829 1.00000
Pa3 Pa 0.75000 0.37515 0.41646 1.00000
Pa4 Pa 0.75000 0.87515 0.08354 1.00000
Pa5 Pa 0.25000 0.12485 0.91646 1.00000
Pa6 Pa 0.25000 0.62485 0.58354 1.00000
Pa7 Pa 0.25000 0.12494 0.25171 1.00000
Pa8 Pa 0.25000 0.62494 0.24829 1.00000
N1 N 0.75000 0.13577 0.58867 1.00000
N2 N 0.75000 0.63577 0.91133 1.00000
N3 N 0.75000 0.11758 0.91157 1.00000
N4 N 0.75000 0.61758 0.58843 1.00000
N5 N 0.75000 0.12591 0.25130 1.00000
N6 N 0.75000 0.62591 0.24870 1.00000
N7 N 0.25000 0.37409 0.75130 1.00000
N8 N 0.25000 0.87409 0.74870 1.00000
N9 N 0.25000 0.38242 0.41157 1.00000
N10 N 0.25000 0.88242 0.08843 1.00000
N11 N 0.25000 0.36423 0.08867 1.00000
N12 N 0.25000 0.86423 0.41133 1.00000
