Sr3Nb2(N2O)2
Alexandria ALEXAlex-ID: agm004489583 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
Nb5N6 SrN6 Sr2NbN3 SrO
2022-06-18 04:27:50.220818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004489583).
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
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# CIF generated by HEAS from Alexandria entry agm004489583
data_agm004489583
_cell_length_a 4.08889
_cell_length_b 4.08889
_cell_length_c 10.70269
_cell_angle_alpha 101.01241
_cell_angle_beta 101.01241
_cell_angle_gamma 90.00000
_cell_volume 172.28530
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.17894 0.17894 0.35788 1.00000
Sr3 Sr 0.82106 0.82106 0.64212 1.00000
Nb1 Nb 0.39585 0.39585 0.79170 1.00000
Nb2 Nb 0.60415 0.60415 0.20830 1.00000
N1 N 0.41293 0.91293 0.82586 1.00000
N2 N 0.91293 0.41293 0.82586 1.00000
N3 N 0.08707 0.58707 0.17414 1.00000
N4 N 0.58707 0.08707 0.17414 1.00000
O1 O 0.30144 0.30144 0.60287 1.00000
O2 O 0.69856 0.69856 0.39713 1.00000
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