Pr2Sn(PN3)2
Alexandria ALEXAlex-ID: agm004575409 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_28_spg2
SnN Pr2PN4 Sn P3N5
2022-06-24 08:23:20.450122
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004575409).
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 agm004575409
data_agm004575409
_cell_length_a 6.79348
_cell_length_b 5.79201
_cell_length_c 6.00594
_cell_angle_alpha 107.16233
_cell_angle_beta 75.64300
_cell_angle_gamma 65.52369
_cell_volume 185.95219
_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
Pr1 Pr 0.82012 0.40561 0.78442 1.00000
Pr2 Pr 0.17988 0.59439 0.21558 1.00000
Sn1 Sn 0.50000 0.00000 0.50000 1.00000
P1 P 0.23701 0.72158 0.75354 1.00000
P2 P 0.76299 0.27842 0.24646 1.00000
N1 N 0.39398 0.73154 0.90702 1.00000
N2 N 0.85107 0.49723 0.26214 1.00000
N3 N 0.17271 0.90799 0.60562 1.00000
N4 N 0.14893 0.50277 0.73786 1.00000
N5 N 0.82729 0.09201 0.39438 1.00000
N6 N 0.60602 0.26846 0.09298 1.00000
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