CoBrF
Alexandria ALEXAlex-ID: agm005678358 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8447_spg12
Co2Br3F CoF2
2023-06-17 08:30:20.112396
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678358).
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 agm005678358
data_agm005678358
_cell_length_a 3.52172
_cell_length_b 6.76688
_cell_length_c 5.84947
_cell_angle_alpha 106.94823
_cell_angle_beta 90.00000
_cell_angle_gamma 105.08297
_cell_volume 128.31625
_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 0.74933 0.49865 0.23461 1.00000
Co2 Co 0.25067 0.50135 0.76539 1.00000
Br1 Br 0.87668 0.75336 0.66459 1.00000
Br2 Br 0.12332 0.24664 0.33541 1.00000
F1 F 0.68249 0.36498 0.86664 1.00000
F2 F 0.31751 0.63502 0.13337 1.00000
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