CoAg2BiF6
Alexandria ALEXAlex-ID: agm004972048 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_865_spg2
Ag2F CoF2 BiF3
2022-07-22 20:28:44.413387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972048).
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 agm004972048
data_agm004972048
_cell_length_a 6.82231
_cell_length_b 7.23891
_cell_length_c 6.02842
_cell_angle_alpha 74.78962
_cell_angle_beta 130.14869
_cell_angle_gamma 134.61738
_cell_volume 151.73306
_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
Co1 Co 0.99657 0.49779 0.48025 1.00000
Ag1 Ag 0.61520 0.80662 0.29624 1.00000
Ag2 Ag 0.37790 0.18895 0.66432 1.00000
Bi1 Bi 0.99658 0.99779 0.98026 1.00000
F1 F 0.48608 0.89800 0.79856 1.00000
F2 F 0.50709 0.09751 0.16200 1.00000
F3 F 0.91649 0.62939 0.11515 1.00000
F4 F 0.37295 0.54886 0.55587 1.00000
F5 F 0.62004 0.44657 0.40453 1.00000
F6 F 0.07668 0.36618 0.84534 1.00000
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