Si2N3
Alexandria ALEXAlex-ID: agm005508058 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_18_spg36
Si3N4 N2
2023-03-20 11:37:35.274295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508058).
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 agm005508058
data_agm005508058
_cell_length_a 5.40499
_cell_length_b 5.40499
_cell_length_c 4.91770
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 117.16627
_cell_volume 127.81671
_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
Si1 Si 0.96306 0.32358 0.50035 1.00000
Si2 Si 0.32358 0.96306 0.50035 1.00000
Si3 Si 0.03694 0.67642 0.00035 1.00000
Si4 Si 0.67642 0.03694 0.00035 1.00000
N1 N 0.88959 0.35343 0.84129 1.00000
N2 N 0.35343 0.88959 0.84129 1.00000
N3 N 0.11041 0.64657 0.34129 1.00000
N4 N 0.64657 0.11041 0.34129 1.00000
N5 N 0.82947 0.82947 0.94671 1.00000
N6 N 0.17053 0.17053 0.44671 1.00000
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