Ag4Br2Cl5
Alexandria ALEXAlex-ID: agm005653683 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_739_spg2
Ag3Cl4 Ag3(BrCl)2 Br
2023-06-21 14:16:43.708493
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653683).
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 agm005653683
data_agm005653683
_cell_length_a 7.88913
_cell_length_b 7.73396
_cell_length_c 7.53971
_cell_angle_alpha 96.86266
_cell_angle_beta 109.07346
_cell_angle_gamma 127.95597
_cell_volume 309.49134
_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
Ag1 Ag 0.34911 0.09842 0.61151 1.00000
Ag2 Ag 0.07664 0.78523 0.95149 1.00000
Ag3 Ag 0.65089 0.90158 0.38849 1.00000
Ag4 Ag 0.92336 0.21477 0.04851 1.00000
Br1 Br 0.63576 0.55968 0.90118 1.00000
Br2 Br 0.36424 0.44032 0.09882 1.00000
Cl1 Cl 0.93947 0.81933 0.63428 1.00000
Cl2 Cl 0.06053 0.18067 0.36572 1.00000
Cl3 Cl 0.79452 0.23339 0.71482 1.00000
Cl4 Cl 0.50000 0.00000 0.00000 1.00000
Cl5 Cl 0.20548 0.76661 0.28518 1.00000
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