Pr5Bi4N
Alexandria ALEXAlex-ID: agm003661083 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_3_spg79
Pr2BiN PrBi
2022-04-07 15:35:54.413691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661083).
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 agm003661083
data_agm003661083
_cell_length_a 6.52171
_cell_length_b 7.73001
_cell_length_c 7.73001
_cell_angle_alpha 79.74950
_cell_angle_beta 65.04896
_cell_angle_gamma 65.04896
_cell_volume 320.34610
_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 0.90533 0.35499 0.83634 1.00000
Pr2 Pr 0.26032 0.83634 0.64501 1.00000
Pr3 Pr 0.74167 0.16366 0.35499 1.00000
Pr4 Pr 0.09665 0.64501 0.16366 1.00000
Pr5 Pr 0.42158 0.00000 0.00000 1.00000
Bi1 Bi 0.41957 0.39358 0.77656 1.00000
Bi2 Bi 0.81315 0.77656 0.60642 1.00000
Bi3 Bi 0.19613 0.22344 0.39358 1.00000
Bi4 Bi 0.58971 0.60642 0.22344 1.00000
N1 N 0.06618 1.00000 0.00000 1.00000
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