PrN4
Alexandria ALEXAlex-ID: agm005544597 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_722_spg12
PrN4
2023-05-29 21:09:35.067550
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005544597).
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 agm005544597
data_agm005544597
_cell_length_a 4.07899
_cell_length_b 7.54865
_cell_length_c 10.51888
_cell_angle_alpha 132.12116
_cell_angle_beta 92.78743
_cell_angle_gamma 120.46857
_cell_volume 164.38654
_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 0.04828 0.09922 0.79513 1.00000
Pr2 Pr 0.15158 0.10078 0.20484 1.00000
N1 N 0.05831 0.68457 0.54666 1.00000
N2 N 0.13855 0.10312 0.44975 1.00000
N3 N 0.89157 0.51790 0.96540 1.00000
N4 N 0.06832 0.10317 0.55341 1.00000
N5 N 0.73672 0.09564 0.01587 1.00000
N6 N 0.31026 0.68376 0.03721 1.00000
N7 N 0.45349 0.09485 0.97938 1.00000
N8 N 0.14291 0.51703 0.45236 1.00000
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