Cs5Ag2AuF
Alexandria ALEXAlex-ID: agm005152072 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_337_spg36
Cs6Au Cs2Au CsF Ag
2023-01-24 14:02:22.453329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152072).
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 agm005152072
data_agm005152072
_cell_length_a 5.28354
_cell_length_b 11.48109
_cell_length_c 15.60581
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.30282
_cell_volume 921.26032
_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 0.34988 0.69975 0.01229 1.00000
Cs2 Cs 0.66666 0.33331 0.87518 1.00000
Cs3 Cs 0.48922 0.97845 0.76654 1.00000
Cs4 Cs 0.28853 0.57705 0.68829 1.00000
Cs5 Cs 0.97197 0.94394 0.49828 1.00000
Cs6 Cs 0.65012 0.30025 0.51229 1.00000
Cs7 Cs 0.33334 0.66669 0.37518 1.00000
Cs8 Cs 0.51078 0.02155 0.26654 1.00000
Cs9 Cs 0.71147 0.42295 0.18829 1.00000
Cs10 Cs 0.02803 0.05606 0.99828 1.00000
Ag1 Ag 0.86918 0.73837 0.83376 1.00000
Ag2 Ag 0.10830 0.21661 0.68896 1.00000
Ag3 Ag 0.13082 0.26163 0.33376 1.00000
Ag4 Ag 0.89170 0.78339 0.18896 1.00000
Au1 Au 0.80959 0.61918 0.53282 1.00000
Au2 Au 0.19041 0.38082 0.03282 1.00000
F1 F 0.54205 0.08410 0.92785 1.00000
F2 F 0.45795 0.91590 0.42785 1.00000
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