Ag4H2Br5
Alexandria ALEXAlex-ID: agm005676624 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_875_spg2
H2Br AgBr
2023-06-24 07:12:06.551333
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676624).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005676624
data_agm005676624
_cell_length_a 9.39282
_cell_length_b 7.18157
_cell_length_c 9.60401
_cell_angle_alpha 59.12608
_cell_angle_beta 94.08682
_cell_angle_gamma 48.12719
_cell_volume 315.55032
_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 0.76285 0.04386 0.93387 1.00000
Ag2 Ag 0.93852 0.39692 0.11876 1.00000
Ag3 Ag 0.23715 0.95614 0.06613 1.00000
Ag4 Ag 0.06148 0.60308 0.88124 1.00000
H1 H 0.18945 0.97090 0.65458 1.00000
H2 H 0.81055 0.02910 0.34542 1.00000
Br1 Br 0.34080 0.86964 0.58266 1.00000
Br2 Br 0.65920 0.13036 0.41734 1.00000
Br3 Br 0.01251 0.88629 0.24562 1.00000
Br4 Br 0.50000 0.00000 0.00000 1.00000
Br5 Br 0.98749 0.11371 0.75438 1.00000
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