DyScF5
Alexandria ALEXAlex-ID: agm003758971 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_440_spg15
ScF3 Sc DyF3
2022-04-19 17:15:35.368519
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003758971).
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 agm003758971
data_agm003758971
_cell_length_a 5.83037
_cell_length_b 5.83037
_cell_length_c 7.54970
_cell_angle_alpha 71.34829
_cell_angle_beta 71.34829
_cell_angle_gamma 75.33018
_cell_volume 227.10848
_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
Dy1 Dy 0.53144 0.46856 0.25000 1.00000
Dy2 Dy 0.46856 0.53144 0.75000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.00000 0.00000 0.50000 1.00000
F1 F 0.77135 0.74433 0.12277 1.00000
F2 F 0.31964 0.67430 0.47316 1.00000
F3 F 0.74433 0.77135 0.62277 1.00000
F4 F 0.84609 0.15391 0.25000 1.00000
F5 F 0.32570 0.68036 0.02684 1.00000
F6 F 0.67430 0.31964 0.97316 1.00000
F7 F 0.15391 0.84609 0.75000 1.00000
F8 F 0.25567 0.22865 0.37723 1.00000
F9 F 0.68036 0.32570 0.52684 1.00000
F10 F 0.22865 0.25567 0.87723 1.00000
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