NaU2MnF11
Alexandria ALEXAlex-ID: agm021574415 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D11_1_spg8
Na2UF6 UMnF6 Na3U4F19
2025-03-11 04:30:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021574415).
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 agm021574415
data_agm021574415
_cell_length_a 5.99968
_cell_length_b 5.99968
_cell_length_c 8.47208
_cell_angle_alpha 68.46896
_cell_angle_beta 111.53104
_cell_angle_gamma 107.57688
_cell_volume 258.90773
_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 0.00000 0.00000 0.50000 1.00000
U1 U 0.49665 0.50335 0.26415 1.00000
U2 U 0.50335 0.49665 0.73585 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
F1 F 0.79473 0.81317 0.18342 1.00000
F2 F 0.81317 0.79473 0.81658 1.00000
F3 F 0.20527 0.18683 0.81658 1.00000
F4 F 0.18683 0.20527 0.18342 1.00000
F5 F 0.50000 0.50000 0.00000 1.00000
F6 F 0.32077 0.32077 0.50000 1.00000
F7 F 0.67923 0.67923 0.50000 1.00000
F8 F 0.75468 0.24532 0.86212 1.00000
F9 F 0.24532 0.75468 0.13788 1.00000
F10 F 0.74097 0.25903 0.39106 1.00000
F11 F 0.25903 0.74097 0.60894 1.00000
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