Co5H2F2
Alexandria ALEXAlex-ID: agm007356411 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_837_spg12
HF Co
2024-03-05 09:01:32.963858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007356411).
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 agm007356411
data_agm007356411
_cell_length_a 2.67104
_cell_length_b 4.44528
_cell_length_c 9.56840
_cell_angle_alpha 92.84878
_cell_angle_beta 83.62898
_cell_angle_gamma 107.83247
_cell_volume 107.46940
_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 0.85457 0.23820 0.55297 1.00000
Co2 Co 0.14543 0.76180 0.44703 1.00000
Co3 Co 0.48011 0.31222 0.32772 1.00000
Co4 Co 0.51989 0.68778 0.67228 1.00000
Co5 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.80823 0.00763 0.36878 1.00000
H2 H 0.19177 0.99237 0.63122 1.00000
F1 F 0.40569 0.72894 0.88935 1.00000
F2 F 0.59431 0.27106 0.11065 1.00000
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