Pr3(BiN)2
Alexandria ALEXAlex-ID: agm005560880 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_102_spg12
PrBi2 PrN
2023-06-09 13:00:05.776350
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005560880).
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 agm005560880
data_agm005560880
_cell_length_a 3.88885
_cell_length_b 8.30744
_cell_length_c 7.93811
_cell_angle_alpha 128.00202
_cell_angle_beta 90.00000
_cell_angle_gamma 103.53614
_cell_volume 192.96049
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.78659 0.57318 0.36803 1.00000
Pr3 Pr 0.21341 0.42682 0.63197 1.00000
Bi1 Bi 0.56972 0.13944 0.74678 1.00000
Bi2 Bi 0.43028 0.86056 0.25322 1.00000
N1 N 0.81423 0.62846 0.69756 1.00000
N2 N 0.18577 0.37154 0.30244 1.00000
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