Na2CoSnF6
Alexandria ALEXAlex-ID: agm004956677 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_596_spg1
Na2SnF6 Co
2022-07-23 03:32:28.191245
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004956677).
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 agm004956677
data_agm004956677
_cell_length_a 5.78506
_cell_length_b 5.80104
_cell_length_c 6.08649
_cell_angle_alpha 61.45456
_cell_angle_beta 61.65755
_cell_angle_gamma 60.09863
_cell_volume 147.85078
_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 0.53010 0.53072 0.40901 1.00000
Na2 Na 0.02410 0.02220 0.93069 1.00000
Co1 Co 0.31867 0.32011 0.04006 1.00000
Sn1 Sn 0.81035 0.81182 0.56684 1.00000
F1 F 0.57971 0.21525 0.24413 1.00000
F2 F 0.21137 0.96316 0.24835 1.00000
F3 F 0.96417 0.57669 0.24812 1.00000
F4 F 0.41001 0.68466 0.77560 1.00000
F5 F 0.68282 0.12481 0.77856 1.00000
F6 F 0.13030 0.41219 0.77385 1.00000
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