Pa2SnN2
Alexandria ALEXAlex-ID: agm005956554 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_14_spg70
Pa3SnN4 PaSn3 PaN
2023-08-04 02:17:29.760315
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005956554).
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 agm005956554
data_agm005956554
_cell_length_a 6.07943
_cell_length_b 6.07943
_cell_length_c 6.59443
_cell_angle_alpha 107.58460
_cell_angle_beta 107.58456
_cell_angle_gamma 110.17381
_cell_volume 194.30475
_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
Pa1 Pa 0.19267 0.30733 0.75000 1.00000
Pa2 Pa 0.44268 0.05732 0.25000 1.00000
Pa3 Pa 0.55732 0.94268 0.75000 1.00000
Pa4 Pa 0.80733 0.69267 0.25000 1.00000
Sn1 Sn 0.87491 0.62509 0.75000 1.00000
Sn2 Sn 0.12509 0.37491 0.25000 1.00000
N1 N 0.25154 0.00146 0.50309 1.00000
N2 N 0.50146 0.75154 0.00309 1.00000
N3 N 0.74846 0.99854 0.49691 1.00000
N4 N 0.49854 0.24846 0.99691 1.00000
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