NaDy2F7
Alexandria ALEXAlex-ID: agm002149147 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_0_spg166
NaDyF4 DyF3
2018-06-05 21:26:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002149147).
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
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# CIF generated by HEAS from Alexandria entry agm002149147
data_agm002149147
_cell_length_a 3.96289
_cell_length_b 3.96293
_cell_length_c 10.97030
_cell_angle_alpha 79.62976
_cell_angle_beta 79.63029
_cell_angle_gamma 59.99916
_cell_volume 145.94333
_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 0.30984 0.35706 0.65948 1.00000
F1 F 0.53090 0.57799 0.99681 1.00000
F2 F 0.39145 0.43877 0.41372 1.00000
F3 F 0.80979 0.85693 0.15947 1.00000
F4 F 0.08855 0.13587 0.32211 1.00000
F5 F 0.94486 0.99200 0.75386 1.00000
F6 F 0.67454 0.72184 0.56507 1.00000
F7 F 0.22797 0.27505 0.90520 1.00000
Dy1 Dy 0.87850 0.92557 0.95389 1.00000
Dy2 Dy 0.74094 0.78826 0.36506 1.00000
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