Dy2IF6
Alexandria ALEXAlex-ID: agm098002192 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_5053_spg139
I DyF3
2025-04-06 21:48:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098002192).
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 agm098002192
data_agm098002192
_cell_length_a 4.16114
_cell_length_b 3.65364
_cell_length_c 12.15644
_cell_angle_alpha 90.00000
_cell_angle_beta 88.64560
_cell_angle_gamma 90.00000
_cell_volume 184.76644
_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 0.43576 0.00000 0.00209 1.00000
Dy2 Dy 0.91691 0.50000 0.27488 1.00000
I1 I 0.40883 0.00000 0.64004 1.00000
F1 F 0.24125 0.50000 0.11388 1.00000
F2 F 0.41558 0.50000 0.32588 1.00000
F3 F 0.94153 0.00000 0.95172 1.00000
F4 F 0.93455 0.00000 0.36917 1.00000
F5 F 0.46786 0.50000 0.90862 1.00000
F6 F 0.73774 0.00000 0.16371 1.00000
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