Na10O4F
Alexandria ALEXAlex-ID: agm005994339 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
Na2O Na NaF
2023-08-08 11:28:15.476720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994339).
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 agm005994339
data_agm005994339
_cell_length_a 5.71605
_cell_length_b 6.99676
_cell_length_c 6.99676
_cell_angle_alpha 80.39503
_cell_angle_beta 65.89073
_cell_angle_gamma 65.89073
_cell_volume 233.13690
_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 0.25000 0.50000 0.50000 1.00000
Na2 Na 0.63929 0.31020 0.89289 1.00000
Na3 Na 0.05051 0.10711 0.31020 1.00000
Na4 Na 0.46782 0.89289 0.68980 1.00000
Na5 Na 0.84238 0.68980 0.10711 1.00000
Na6 Na 0.36071 0.68980 0.10711 1.00000
Na7 Na 0.75000 0.50000 0.50000 1.00000
Na8 Na 0.15762 0.31020 0.89289 1.00000
Na9 Na 0.53218 0.10711 0.31020 1.00000
Na10 Na 0.94949 0.89289 0.68980 1.00000
O1 O 0.39790 0.80305 0.40116 1.00000
O2 O 0.79905 0.59884 0.80305 1.00000
O3 O 0.20095 0.40116 0.19695 1.00000
O4 O 0.60210 0.19695 0.59884 1.00000
F1 F 0.00000 0.00000 0.00000 1.00000
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