Y3(PaN2)2
Alexandria ALEXAlex-ID: agm005688533 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Y5PaN6 PaN Pa
2023-06-27 19:34:21.427177
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688533).
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 agm005688533
data_agm005688533
_cell_length_a 3.45992
_cell_length_b 6.04451
_cell_length_c 7.81504
_cell_angle_alpha 76.17022
_cell_angle_beta 77.21090
_cell_angle_gamma 73.36920
_cell_volume 149.99451
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.20346 0.40014 0.19294 1.00000
Y3 Y 0.79654 0.59986 0.80706 1.00000
Pa1 Pa 0.60171 0.18737 0.60922 1.00000
Pa2 Pa 0.39829 0.81263 0.39078 1.00000
N1 N 0.80441 0.09171 0.29946 1.00000
N2 N 0.19559 0.90829 0.70054 1.00000
N3 N 0.40614 0.29707 0.89065 1.00000
N4 N 0.59386 0.70293 0.10935 1.00000
Get direct link