CoAg3F12
Alexandria ALEXAlex-ID: agm076587162 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_6_spg1
CoF3 AgF3
2025-02-02 02:19:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076587162).
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 agm076587162
data_agm076587162
_cell_length_a 5.69439
_cell_length_b 5.44439
_cell_length_c 7.88209
_cell_angle_alpha 90.01148
_cell_angle_beta 87.18138
_cell_angle_gamma 90.42769
_cell_volume 244.06206
_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 0.00000 0.50000 0.00000 1.00000
Ag1 Ag 0.50000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.00000 0.50000 1.00000
Ag3 Ag 0.00000 0.50000 0.50000 1.00000
F1 F 0.79881 0.75578 0.95614 1.00000
F2 F 0.31066 0.31171 0.44884 1.00000
F3 F 0.68934 0.68829 0.55116 1.00000
F4 F 0.20119 0.24422 0.04386 1.00000
F5 F 0.99743 0.40154 0.76360 1.00000
F6 F 0.18800 0.81491 0.55541 1.00000
F7 F 0.81200 0.18509 0.44459 1.00000
F8 F 0.00257 0.59846 0.23640 1.00000
F9 F 0.26882 0.70957 0.94382 1.00000
F10 F 0.48561 0.89104 0.25108 1.00000
F11 F 0.51439 0.10896 0.74892 1.00000
F12 F 0.73118 0.29043 0.05618 1.00000
Get direct link