Ba3Sr7N2
Alexandria ALEXAlex-ID: agm101730183 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
Sr2N Ba15Sr Sr
2025-05-17 06:51:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101730183).
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 agm101730183
data_agm101730183
_cell_length_a 7.49942
_cell_length_b 7.49942
_cell_length_c 11.30057
_cell_angle_alpha 70.65111
_cell_angle_beta 109.34889
_cell_angle_gamma 119.98405
_cell_volume 508.61240
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Ba2 Ba 0.85827 0.14173 0.07450 1.00000
Ba3 Ba 0.14173 0.85827 0.92550 1.00000
Sr1 Sr 0.50000 0.50000 0.00000 1.00000
Sr2 Sr 0.44620 0.04931 0.34076 1.00000
Sr3 Sr 0.95069 0.55380 0.34076 1.00000
Sr4 Sr 0.44724 0.55276 0.34098 1.00000
Sr5 Sr 0.55380 0.95069 0.65924 1.00000
Sr6 Sr 0.55276 0.44724 0.65902 1.00000
Sr7 Sr 0.04931 0.44620 0.65924 1.00000
N1 N 0.66735 0.33265 0.50267 1.00000
N2 N 0.33265 0.66735 0.49733 1.00000
Get direct link