Pr3Y2N4
Alexandria ALEXAlex-ID: agm005692965 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Pr6N5 Pr YN
2023-06-27 19:31:32.350211
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692965).
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 agm005692965
data_agm005692965
_cell_length_a 3.58605
_cell_length_b 3.58605
_cell_length_c 15.11105
_cell_angle_alpha 90.05535
_cell_angle_beta 89.94465
_cell_angle_gamma 119.99389
_cell_volume 168.30049
_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 0.66572 0.33428 0.37888 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.33428 0.66572 0.62112 1.00000
Y1 Y 0.66715 0.33285 0.81045 1.00000
Y2 Y 0.33285 0.66715 0.18955 1.00000
N1 N 0.33361 0.66639 0.89476 1.00000
N2 N 0.99922 0.00078 0.29165 1.00000
N3 N 0.00078 0.99922 0.70835 1.00000
N4 N 0.66639 0.33361 0.10524 1.00000
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