CsAg2IrBr8
Alexandria ALEXAlex-ID: agm004907765 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_188_spg12
Ag6IrBr12 CsAgBr3 Br IrBr3
2022-08-10 12:58:20.174943
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004907765).
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 agm004907765
data_agm004907765
_cell_length_a 6.48361
_cell_length_b 6.48676
_cell_length_c 10.85915
_cell_angle_alpha 90.31796
_cell_angle_beta 90.72805
_cell_angle_gamma 68.57923
_cell_volume 425.12800
_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
Cs1 Cs 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.68177 0.68247 0.80991 1.00000
Ag2 Ag 0.31823 0.31753 0.19009 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.25863 0.78390 0.16490 1.00000
Br2 Br 0.77087 0.77007 0.03087 1.00000
Br3 Br 0.78630 0.25601 0.16444 1.00000
Br4 Br 0.74137 0.21610 0.83510 1.00000
Br5 Br 0.22913 0.22993 0.96913 1.00000
Br6 Br 0.21370 0.74399 0.83556 1.00000
Br7 Br 0.66218 0.67002 0.57942 1.00000
Br8 Br 0.33782 0.32998 0.42058 1.00000
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