Si3(AsN)2
Alexandria ALEXAlex-ID: agm011494553 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_166_spg12
SiAs2 SiAs Si3N4
2024-06-24 11:47:54.087484
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011494553).
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 agm011494553
data_agm011494553
_cell_length_a 8.35106
_cell_length_b 8.35106
_cell_length_c 8.53680
_cell_angle_alpha 81.47130
_cell_angle_beta 81.47130
_cell_angle_gamma 21.03896
_cell_volume 211.28969
_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 0.16419 0.16419 0.80934 1.00000
Si2 Si 0.83581 0.83581 0.19066 1.00000
Si3 Si 0.11016 0.11016 0.24485 1.00000
Si4 Si 0.88984 0.88984 0.75515 1.00000
Si5 Si 0.44518 0.44518 0.40401 1.00000
Si6 Si 0.55482 0.55482 0.59599 1.00000
As1 As 0.23900 0.23900 0.34424 1.00000
As2 As 0.76100 0.76100 0.65576 1.00000
As3 As 0.40544 0.40544 0.97970 1.00000
As4 As 0.59456 0.59456 0.02030 1.00000
N1 N 0.08903 0.08903 0.66632 1.00000
N2 N 0.91097 0.91097 0.33368 1.00000
N3 N 0.44239 0.44239 0.61901 1.00000
N4 N 0.55761 0.55761 0.38099 1.00000
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