AgHF
Alexandria ALEXAlex-ID: agm005647431 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_6243_spg2
HF Ag
2023-06-17 14:52:08.928892
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647431).
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 agm005647431
data_agm005647431
_cell_length_a 3.35981
_cell_length_b 3.48664
_cell_length_c 8.97051
_cell_angle_alpha 67.10718
_cell_angle_beta 114.33784
_cell_angle_gamma 89.69933
_cell_volume 86.47159
_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 0.57436 0.29217 0.84062 1.00000
Ag2 Ag 0.42564 0.70783 0.15938 1.00000
H1 H 0.01566 0.60055 0.46720 1.00000
H2 H 0.98434 0.39945 0.53280 1.00000
F1 F 0.03878 0.81421 0.81161 1.00000
F2 F 0.96122 0.18579 0.18839 1.00000
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