Na2CuF5
Alexandria ALEXAlex-ID: agm075774174 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_5_spg15
Na3CuF6 NaCuF4
2025-01-09 09:31:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075774174).
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 agm075774174
data_agm075774174
_cell_length_a 5.74674
_cell_length_b 5.74674
_cell_length_c 8.00615
_cell_angle_alpha 71.55938
_cell_angle_beta 108.44062
_cell_angle_gamma 111.92256
_cell_volume 226.71020
_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
Na1 Na 0.36974 0.75726 0.88324 1.00000
Na2 Na 0.63026 0.24274 0.11676 1.00000
Na3 Na 0.75726 0.36974 0.61676 1.00000
Na4 Na 0.24274 0.63026 0.38324 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.00000 0.00000 0.50000 1.00000
F1 F 0.67364 0.76421 0.50058 1.00000
F2 F 0.32636 0.23579 0.49942 1.00000
F3 F 0.76421 0.67364 0.99942 1.00000
F4 F 0.23579 0.32636 0.00058 1.00000
F5 F 0.86134 0.28460 0.39575 1.00000
F6 F 0.13866 0.71540 0.60425 1.00000
F7 F 0.28460 0.86134 0.10425 1.00000
F8 F 0.71540 0.13866 0.89575 1.00000
F9 F 0.96968 0.96968 0.25000 1.00000
F10 F 0.03032 0.03032 0.75000 1.00000
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