AgSBr
Alexandria ALEXAlex-ID: agm073835142 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2716_spg44
AgS3Br AgBr
2025-01-01 10:09:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073835142).
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 agm073835142
data_agm073835142
_cell_length_a 4.40848
_cell_length_b 7.65183
_cell_length_c 7.81375
_cell_angle_alpha 99.15094
_cell_angle_beta 87.42706
_cell_angle_gamma 87.54896
_cell_volume 259.63045
_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 0.38949 0.61533 0.09731 1.00000
Ag2 Ag 0.60972 0.88816 0.38459 1.00000
Ag3 Ag 0.00393 0.41086 0.57265 1.00000
S1 S 0.17820 0.89426 0.97618 1.00000
S2 S 0.81742 0.04277 0.12988 1.00000
S3 S 0.49781 0.08004 0.95127 1.00000
Br1 Br 0.90719 0.47028 0.92493 1.00000
Br2 Br 0.09209 0.05259 0.53915 1.00000
Br3 Br 0.50415 0.54572 0.42403 1.00000
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