Na2Sr(BrCl)2
Alexandria ALEXAlex-ID: agm004545682 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_354_spg2
NaBr SrCl2
2022-06-22 07:48:56.903043
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004545682).
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 agm004545682
data_agm004545682
_cell_length_a 4.42015
_cell_length_b 8.00308
_cell_length_c 8.25462
_cell_angle_alpha 61.54854
_cell_angle_beta 61.00370
_cell_angle_gamma 69.16666
_cell_volume 221.58332
_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 0.08355 0.57434 0.69670 1.00000
Na2 Na 0.91645 0.42566 0.30330 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.30253 0.24751 0.55999 1.00000
Br2 Br 0.69747 0.75249 0.44001 1.00000
Cl1 Cl 0.31646 0.25645 0.01890 1.00000
Cl2 Cl 0.68354 0.74355 0.98110 1.00000
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