Ce2Pa3N4
Alexandria ALEXAlex-ID: agm005690790 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
CePa5N6 CePaN2 Ce
2023-06-27 19:01:11.605275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690790).
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 agm005690790
data_agm005690790
_cell_length_a 3.47751
_cell_length_b 6.08796
_cell_length_c 7.87257
_cell_angle_alpha 74.98764
_cell_angle_beta 77.24031
_cell_angle_gamma 73.40498
_cell_volume 152.32117
_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 0.60276 0.19368 0.60079 1.00000
Ce2 Ce 0.39724 0.80632 0.39921 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Pa2 Pa 0.19968 0.40191 0.19872 1.00000
Pa3 Pa 0.80032 0.59809 0.80128 1.00000
N1 N 0.79948 0.11325 0.28779 1.00000
N2 N 0.20052 0.88675 0.71221 1.00000
N3 N 0.39434 0.30152 0.90980 1.00000
N4 N 0.60566 0.69848 0.09020 1.00000
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