Pr5(SnN)2
Alexandria ALEXAlex-ID: agm010028632 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_562_spg46
Pr5Sn3N Pr3SnN PrN
2024-03-31 11:17:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010028632).
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 agm010028632
data_agm010028632
_cell_length_a 10.94377
_cell_length_b 10.94377
_cell_length_c 10.94377
_cell_angle_alpha 140.98022
_cell_angle_beta 141.89570
_cell_angle_gamma 55.67979
_cell_volume 505.39854
_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 0.73909 0.23909 0.00000 1.00000
Pr2 Pr 0.76091 0.76091 0.50000 1.00000
Pr3 Pr 0.23909 0.23909 0.50000 1.00000
Pr4 Pr 0.26091 0.76091 0.00000 1.00000
Pr5 Pr 0.13855 0.21042 0.07187 1.00000
Pr6 Pr 0.86145 0.78958 0.92813 1.00000
Pr7 Pr 0.63855 0.56668 0.92813 1.00000
Pr8 Pr 0.36145 0.43332 0.07187 1.00000
Pr9 Pr 0.50000 0.00000 0.00000 1.00000
Pr10 Pr 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.62405 0.10747 0.48342 1.00000
Sn2 Sn 0.37595 0.89253 0.51658 1.00000
Sn3 Sn 0.12405 0.64062 0.51658 1.00000
Sn4 Sn 0.87595 0.35938 0.48342 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
N2 N 0.50000 0.50000 0.00000 1.00000
N3 N 0.25000 0.21715 0.96715 1.00000
N4 N 0.75000 0.78285 0.03285 1.00000
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