Pr3Bi2N
Alexandria ALEXAlex-ID: agm005889028 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2703_spg62
Pr2BiN PrBi
2023-08-24 01:21:17.227951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005889028).
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 agm005889028
data_agm005889028
_cell_length_a 4.14991
_cell_length_b 7.91091
_cell_length_c 22.59779
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 741.87546
_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 0.25000 0.67844 0.97551 1.00000
Pr2 Pr 0.75000 0.82156 0.47551 1.00000
Pr3 Pr 0.25000 0.17844 0.52449 1.00000
Pr4 Pr 0.75000 0.32156 0.02449 1.00000
Pr5 Pr 0.25000 0.05950 0.18701 1.00000
Pr6 Pr 0.75000 0.44050 0.68701 1.00000
Pr7 Pr 0.25000 0.55950 0.31299 1.00000
Pr8 Pr 0.75000 0.94050 0.81299 1.00000
Pr9 Pr 0.25000 0.59977 0.13700 1.00000
Pr10 Pr 0.75000 0.90023 0.63700 1.00000
Pr11 Pr 0.25000 0.09977 0.36300 1.00000
Pr12 Pr 0.75000 0.40023 0.86300 1.00000
Bi1 Bi 0.25000 0.59750 0.58335 1.00000
Bi2 Bi 0.75000 0.90250 0.08335 1.00000
Bi3 Bi 0.25000 0.09750 0.91665 1.00000
Bi4 Bi 0.75000 0.40250 0.41665 1.00000
Bi5 Bi 0.25000 0.63404 0.78261 1.00000
Bi6 Bi 0.75000 0.86596 0.28261 1.00000
Bi7 Bi 0.25000 0.13404 0.71739 1.00000
Bi8 Bi 0.75000 0.36596 0.21739 1.00000
N1 N 0.25000 0.96049 0.44817 1.00000
N2 N 0.75000 0.53951 0.94817 1.00000
N3 N 0.25000 0.46049 0.05183 1.00000
N4 N 0.75000 0.03951 0.55183 1.00000
