RbNaY2F8
Alexandria ALEXAlex-ID: agm004909397 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_437_spg47
Rb2NaYF6 NaYF4 RbY2F7
2022-12-22 22:24:48.220968
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909397).
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 agm004909397
data_agm004909397
_cell_length_a 3.89527
_cell_length_b 6.15278
_cell_length_c 7.75003
_cell_angle_alpha 90.13832
_cell_angle_beta 90.00017
_cell_angle_gamma 89.98299
_cell_volume 185.74245
_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
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Na1 Na 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.50077 0.75563 1.00000
Y2 Y 0.50000 0.49923 0.24437 1.00000
F1 F 0.99987 0.70542 0.23677 1.00000
F2 F 0.49979 0.71708 0.00062 1.00000
F3 F 0.00013 0.29172 0.23590 1.00000
F4 F 0.00013 0.29458 0.76323 1.00000
F5 F 0.50021 0.28292 0.99938 1.00000
F6 F 0.99987 0.70828 0.76410 1.00000
F7 F 0.50005 0.69809 0.50025 1.00000
F8 F 0.49995 0.30191 0.49975 1.00000
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