Na2AsBr5
Alexandria ALEXAlex-ID: agm005877982 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_543_spg1
AsBr3 NaBr
2023-08-28 20:51:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877982).
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 agm005877982
data_agm005877982
_cell_length_a 5.94452
_cell_length_b 7.37144
_cell_length_c 7.65444
_cell_angle_alpha 90.28276
_cell_angle_beta 112.78081
_cell_angle_gamma 113.79876
_cell_volume 277.74131
_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 0.49870 0.65335 0.25267 1.00000
Na2 Na 0.64895 0.40222 0.80326 1.00000
As1 As 0.10059 0.02787 0.02777 1.00000
Br1 Br 0.99025 0.69922 0.19047 1.00000
Br2 Br 0.33371 0.26160 0.37139 1.00000
Br3 Br 0.75899 0.79379 0.68410 1.00000
Br4 Br 0.15643 0.35648 0.86494 1.00000
Br5 Br 0.51237 0.02847 0.02840 1.00000
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