Na7Sr6
Alexandria ALEXAlex-ID: agm003293447 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A6B7_58_spg166
Sr Na
2022-01-17 06:09:57.568106
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293447).
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 agm003293447
data_agm003293447
_cell_length_a 7.11534
_cell_length_b 7.11534
_cell_length_c 13.97867
_cell_angle_alpha 75.25563
_cell_angle_beta 75.25563
_cell_angle_gamma 60.00000
_cell_volume 585.83291
_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 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.90563 0.40974 0.77900 1.00000
Na3 Na 0.40974 0.90563 0.77900 1.00000
Na4 Na 0.90563 0.90563 0.77900 1.00000
Na5 Na 0.09437 0.09437 0.22100 1.00000
Na6 Na 0.09437 0.59026 0.22100 1.00000
Na7 Na 0.59026 0.09437 0.22100 1.00000
Sr1 Sr 0.83354 0.83354 0.49938 1.00000
Sr2 Sr 0.16646 0.16646 0.50062 1.00000
Sr3 Sr 0.65146 0.65146 0.04562 1.00000
Sr4 Sr 0.34854 0.34854 0.95438 1.00000
Sr5 Sr 0.54809 0.54809 0.35572 1.00000
Sr6 Sr 0.45191 0.45191 0.64428 1.00000
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