Co3PtF6
Alexandria ALEXAlex-ID: agm005283665 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_865_spg2
Pt CoF2
2023-05-05 07:24:36.173135
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283665).
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 agm005283665
data_agm005283665
_cell_length_a 5.96606
_cell_length_b 5.49189
_cell_length_c 5.39160
_cell_angle_alpha 117.87284
_cell_angle_beta 80.03937
_cell_angle_gamma 104.95440
_cell_volume 150.58900
_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 0.00000 0.50000 1.00000
Co2 Co 0.50000 0.50000 0.00000 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
F1 F 0.76584 0.27200 0.71312 1.00000
F2 F 0.23416 0.72800 0.28688 1.00000
F3 F 0.25034 0.36096 0.69667 1.00000
F4 F 0.74966 0.63904 0.30333 1.00000
F5 F 0.33916 0.16776 0.05699 1.00000
F6 F 0.66084 0.83224 0.94301 1.00000
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