NaPtF5
Alexandria ALEXAlex-ID: agm005753360 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_294_spg9
Na2PtF6 PtF4
2023-07-14 03:40:48.837791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753360).
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 agm005753360
data_agm005753360
_cell_length_a 5.67455
_cell_length_b 5.67455
_cell_length_c 7.56907
_cell_angle_alpha 71.58347
_cell_angle_beta 71.58347
_cell_angle_gamma 74.11769
_cell_volume 215.27135
_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 0.51982 0.48018 0.75000 1.00000
Na2 Na 0.48018 0.51982 0.25000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
F1 F 0.28370 0.17736 0.87221 1.00000
F2 F 0.31679 0.75660 0.52492 1.00000
F3 F 0.17736 0.28370 0.37221 1.00000
F4 F 0.90248 0.09753 0.75000 1.00000
F5 F 0.24340 0.68321 0.97508 1.00000
F6 F 0.75660 0.31679 0.02492 1.00000
F7 F 0.09753 0.90248 0.25000 1.00000
F8 F 0.82264 0.71630 0.62779 1.00000
F9 F 0.68321 0.24340 0.47508 1.00000
F10 F 0.71630 0.82264 0.12779 1.00000
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