SiBPN4
Alexandria ALEXAlex-ID: agm002115652 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_262_spg1
Si3N4 BN P3N5
2021-09-28 00:29:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002115652).
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 agm002115652
data_agm002115652
_cell_length_a 4.47893
_cell_length_b 4.48502
_cell_length_c 4.52767
_cell_angle_alpha 103.27698
_cell_angle_beta 103.65618
_cell_angle_gamma 118.04453
_cell_volume 71.58595
_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
P1 P 0.93008 0.90572 0.29888 1.00000
Si1 Si 0.44879 0.13966 0.01360 1.00000
B1 B 0.21281 0.60637 0.27647 1.00000
N1 N 0.21375 0.26181 0.23139 1.00000
N2 N 0.55195 0.89653 0.23329 1.00000
N3 N 0.16549 0.85438 0.60257 1.00000
N4 N 0.84177 0.52106 0.03712 1.00000
Get direct link