Li2SiN2
Alexandria ALEXAlex-ID: agm003402292 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1598_spg12
Li2SiN2
2022-02-11 02:15:34.393392
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003402292).
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 agm003402292
data_agm003402292
_cell_length_a 4.04904
_cell_length_b 5.84796
_cell_length_c 6.37211
_cell_angle_alpha 122.98828
_cell_angle_beta 90.00000
_cell_angle_gamma 110.25462
_cell_volume 115.27526
_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
Li1 Li 0.64059 0.28118 0.63879 1.00000
Li2 Li 0.35941 0.71882 0.36121 1.00000
Li3 Li 0.00065 0.00130 0.68967 1.00000
Li4 Li 0.99935 0.99870 0.31033 1.00000
Si1 Si 0.36653 0.73306 0.86627 1.00000
Si2 Si 0.63347 0.26694 0.13373 1.00000
N1 N 0.18542 0.37085 0.68441 1.00000
N2 N 0.81458 0.62915 0.31559 1.00000
N3 N 0.49969 0.99937 0.20227 1.00000
N4 N 0.50031 0.00063 0.79773 1.00000
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