NaMg3(PaN3)2
Alexandria ALEXAlex-ID: agm004620102 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_168_spg12
NaPaN2 NaN3 Mg2PaN3 Mg3N2
2022-06-28 07:21:39.978865
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004620102).
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 agm004620102
data_agm004620102
_cell_length_a 3.48893
_cell_length_b 6.65569
_cell_length_c 7.14251
_cell_angle_alpha 101.91584
_cell_angle_beta 104.13676
_cell_angle_gamma 90.00000
_cell_volume 157.14693
_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 0.50000 0.00000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.83908 0.16866 0.67815 1.00000
Mg3 Mg 0.16092 0.83134 0.32185 1.00000
Pa1 Pa 0.84243 0.68504 0.68485 1.00000
Pa2 Pa 0.15757 0.31496 0.31515 1.00000
N1 N 0.32481 0.89822 0.64961 1.00000
N2 N 0.67239 0.56418 0.34478 1.00000
N3 N 0.67519 0.10178 0.35039 1.00000
N4 N 0.00012 0.27617 0.00024 1.00000
N5 N 0.99988 0.72383 0.99976 1.00000
N6 N 0.32761 0.43582 0.65522 1.00000
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