Na2Sr3Al2F14
Alexandria ALEXAlex-ID: agm009142829 · Space group: I2_13 (#199)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D14_2_spg199
NaSrAlF6 SrF2
2025-01-20 18:27:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009142829).
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 agm009142829
data_agm009142829
_cell_length_a 9.30976
_cell_length_b 9.30976
_cell_length_c 9.30976
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 621.14541
_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 0.17970 0.50000 0.00000 1.00000
Na2 Na 0.50000 0.00000 0.17970 1.00000
Na3 Na 0.00000 0.17970 0.50000 1.00000
Na4 Na 0.32030 0.32030 0.32030 1.00000
Sr1 Sr 0.78751 0.25000 0.03751 1.00000
Sr2 Sr 0.25000 0.03751 0.78751 1.00000
Sr3 Sr 0.03751 0.78751 0.25000 1.00000
Sr4 Sr 0.46249 0.71249 0.75000 1.00000
Sr5 Sr 0.75000 0.46249 0.71249 1.00000
Sr6 Sr 0.71249 0.75000 0.46249 1.00000
Al1 Al 0.49602 0.50000 0.00000 1.00000
Al2 Al 0.00000 0.49602 0.50000 1.00000
Al3 Al 0.50000 0.00000 0.49602 1.00000
Al4 Al 0.00398 0.00398 0.00398 1.00000
F1 F 0.56020 0.56020 0.56020 1.00000
F2 F 0.43328 0.66775 0.99421 1.00000
F3 F 0.06093 0.23447 0.06672 1.00000
F4 F 0.99276 0.54656 0.32571 1.00000
F5 F 0.26553 0.32646 0.83225 1.00000
F6 F 0.55380 0.50724 0.83295 1.00000
F7 F 0.06672 0.06093 0.23447 1.00000
F8 F 0.83225 0.26553 0.32646 1.00000
F9 F 0.94620 0.77915 0.95344 1.00000
F10 F 0.32571 0.99276 0.54656 1.00000
F11 F 0.00000 0.93980 0.50000 1.00000
F12 F 0.93980 0.50000 0.00000 1.00000
F13 F 0.66705 0.17429 0.72085 1.00000
F14 F 0.66775 0.99421 0.43328 1.00000
F15 F 0.99421 0.43328 0.66775 1.00000
F16 F 0.54656 0.32571 0.99276 1.00000
F17 F 0.17429 0.72085 0.66705 1.00000
F18 F 0.95344 0.94620 0.77915 1.00000
F19 F 0.43907 0.50579 0.17354 1.00000
F20 F 0.32646 0.83225 0.26553 1.00000
F21 F 0.72085 0.66705 0.17429 1.00000
F22 F 0.50000 0.00000 0.93980 1.00000
F23 F 0.50579 0.17354 0.43907 1.00000
F24 F 0.17354 0.43907 0.50579 1.00000
F25 F 0.50724 0.83295 0.55380 1.00000
F26 F 0.83295 0.55380 0.50724 1.00000
F27 F 0.23447 0.06672 0.06093 1.00000
F28 F 0.77915 0.95344 0.94620 1.00000
