NaSr3Si2N5
Alexandria ALEXAlex-ID: agm020024434 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D5_14_spg15
Sr5(SiN3)2 SrSiN2 SrN2 Na
2024-09-05 04:19:58.804871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020024434).
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 agm020024434
data_agm020024434
_cell_length_a 11.05903
_cell_length_b 11.05903
_cell_length_c 11.24663
_cell_angle_alpha 89.77778
_cell_angle_beta 89.77778
_cell_angle_gamma 151.55732
_cell_volume 655.03492
_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
Na1 Na 0.83693 0.16307 0.75000 1.00000
Na2 Na 0.16307 0.83693 0.25000 1.00000
Na3 Na 0.37492 0.62508 0.75000 1.00000
Na4 Na 0.62508 0.37492 0.25000 1.00000
Sr1 Sr 0.45333 0.01898 0.85767 1.00000
Sr2 Sr 0.98102 0.54667 0.64233 1.00000
Sr3 Sr 0.54667 0.98102 0.14233 1.00000
Sr4 Sr 0.01898 0.45333 0.35767 1.00000
Sr5 Sr 0.34740 0.17082 0.64614 1.00000
Sr6 Sr 0.82918 0.65260 0.85386 1.00000
Sr7 Sr 0.65260 0.82918 0.35386 1.00000
Sr8 Sr 0.17082 0.34740 0.14614 1.00000
Sr9 Sr 0.73684 0.78092 0.62263 1.00000
Sr10 Sr 0.21908 0.26316 0.87737 1.00000
Sr11 Sr 0.26316 0.21908 0.37737 1.00000
Sr12 Sr 0.78092 0.73684 0.12263 1.00000
Si1 Si 0.31750 0.10323 0.02694 1.00000
Si2 Si 0.89677 0.68250 0.47306 1.00000
Si3 Si 0.68250 0.89677 0.97306 1.00000
Si4 Si 0.10323 0.31750 0.52694 1.00000
Si5 Si 0.10224 0.49490 0.96440 1.00000
Si6 Si 0.50510 0.89776 0.53560 1.00000
Si7 Si 0.89776 0.50510 0.03560 1.00000
Si8 Si 0.49490 0.10224 0.46440 1.00000
N1 N 0.50274 0.03871 0.61270 1.00000
N2 N 0.96129 0.49726 0.88730 1.00000
N3 N 0.49726 0.96129 0.38730 1.00000
N4 N 0.03871 0.50274 0.11270 1.00000
N5 N 0.03151 0.76433 0.05712 1.00000
N6 N 0.23567 0.96849 0.44288 1.00000
N7 N 0.96849 0.23567 0.94288 1.00000
N8 N 0.76433 0.03151 0.55712 1.00000
N9 N 0.69839 0.77659 0.88799 1.00000
N10 N 0.22341 0.30161 0.61201 1.00000
N11 N 0.30161 0.22341 0.11201 1.00000
N12 N 0.77659 0.69839 0.38799 1.00000
N13 N 0.33008 0.13764 0.87018 1.00000
N14 N 0.86236 0.66992 0.62982 1.00000
N15 N 0.66992 0.86236 0.12982 1.00000
N16 N 0.13764 0.33008 0.37018 1.00000
N17 N 0.42913 0.77573 0.93376 1.00000
N18 N 0.22427 0.57087 0.56624 1.00000
N19 N 0.57087 0.22427 0.06624 1.00000
N20 N 0.77573 0.42913 0.43376 1.00000
