Na(PaN2)2
Alexandria ALEXAlex-ID: agm003459846 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_905_spg9
NaPaN2 Pa7N12 NaN3
2022-02-28 23:09:38.508885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003459846).
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 agm003459846
data_agm003459846
_cell_length_a 6.27512
_cell_length_b 6.27512
_cell_length_c 6.27512
_cell_angle_alpha 107.57965
_cell_angle_beta 113.32444
_cell_angle_gamma 107.57965
_cell_volume 189.56477
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.75000 0.50000 0.25000 1.00000
Pa1 Pa 0.87500 0.08048 0.45548 1.00000
Pa2 Pa 0.54452 0.41952 0.62500 1.00000
Pa3 Pa 0.37500 0.91952 0.79452 1.00000
Pa4 Pa 0.20548 0.58048 0.12500 1.00000
N1 N 0.13706 0.88016 0.40956 1.00000
N2 N 0.59044 0.72750 0.47060 1.00000
N3 N 0.00690 0.61984 0.77940 1.00000
N4 N 0.22060 0.22750 0.84044 1.00000
N5 N 0.61294 0.77250 0.99310 1.00000
N6 N 0.74310 0.27250 0.86294 1.00000
N7 N 0.52940 0.11984 0.25690 1.00000
N8 N 0.15956 0.38016 0.38706 1.00000
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