Na4PrF8
Alexandria ALEXAlex-ID: agm097568535 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_513_spg12
NaF3 NaPrF4 NaF
2025-06-21 14:19:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097568535).
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 agm097568535
data_agm097568535
_cell_length_a 6.56868
_cell_length_b 6.56868
_cell_length_c 6.19225
_cell_angle_alpha 70.29660
_cell_angle_beta 109.70340
_cell_angle_gamma 111.57759
_cell_volume 226.87039
_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 0.15066 0.15066 0.00000 1.00000
Na2 Na 0.20608 0.63948 0.11044 1.00000
Na3 Na 0.69485 0.69485 0.00000 1.00000
Na4 Na 0.63948 0.20608 0.88956 1.00000
Pr1 Pr 0.92280 0.92280 0.50000 1.00000
F1 F 0.80530 0.04035 0.74369 1.00000
F2 F 0.84096 0.58644 0.78144 1.00000
F3 F 0.32918 0.51631 0.86572 1.00000
F4 F 0.25917 0.00460 0.78150 1.00000
F5 F 0.58644 0.84096 0.21856 1.00000
F6 F 0.51631 0.32918 0.13428 1.00000
F7 F 0.00460 0.25917 0.21850 1.00000
F8 F 0.04035 0.80530 0.25631 1.00000
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