DyF3
Alexandria ALEXAlex-ID: agm005269358 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_39_spg62
DyF3
2023-05-07 02:40:58.521566
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005269358).
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 agm005269358
data_agm005269358
_cell_length_a 4.65672
_cell_length_b 6.26882
_cell_length_c 6.91816
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 201.95604
_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 0.45484 0.36571 0.25000 1.00000
Dy2 Dy 0.54516 0.63429 0.75000 1.00000
Dy3 Dy 0.95484 0.13429 0.75000 1.00000
Dy4 Dy 0.04516 0.86571 0.25000 1.00000
F1 F 0.61722 0.03088 0.25000 1.00000
F2 F 0.38278 0.96912 0.75000 1.00000
F3 F 0.11722 0.46912 0.75000 1.00000
F4 F 0.88278 0.53088 0.25000 1.00000
F5 F 0.14358 0.16222 0.06315 1.00000
F6 F 0.85642 0.83778 0.93685 1.00000
F7 F 0.64358 0.33778 0.93685 1.00000
F8 F 0.85642 0.83778 0.56315 1.00000
F9 F 0.35642 0.66222 0.06315 1.00000
F10 F 0.14358 0.16222 0.43685 1.00000
F11 F 0.35642 0.66222 0.43685 1.00000
F12 F 0.64358 0.33778 0.56315 1.00000
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