KAg(BrF4)2
Alexandria ALEXAlex-ID: agm004875471 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_542_spg12
AgBrF4 KBrF4
2022-12-20 09:05:15.733469
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875471).
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 agm004875471
data_agm004875471
_cell_length_a 6.16519
_cell_length_b 6.61928
_cell_length_c 7.89015
_cell_angle_alpha 54.55253
_cell_angle_beta 67.00265
_cell_angle_gamma 62.24451
_cell_volume 228.85670
_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
K1 K 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.26504 0.27616 0.19377 1.00000
Br2 Br 0.73496 0.72384 0.80623 1.00000
F1 F 0.72886 0.01110 0.53118 1.00000
F2 F 0.74576 0.42728 0.08121 1.00000
F3 F 0.27114 0.98890 0.46882 1.00000
F4 F 0.25425 0.57272 0.91879 1.00000
F5 F 0.78754 0.78051 0.19767 1.00000
F6 F 0.21246 0.21949 0.80233 1.00000
F7 F 0.23428 0.78051 0.19767 1.00000
F8 F 0.76572 0.21949 0.80233 1.00000
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