DyIn2F9
Alexandria ALEXAlex-ID: agm102020367 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_589_spg1
DyInF6 InF3
2025-05-19 14:25:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102020367).
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 agm102020367
data_agm102020367
_cell_length_a 3.54878
_cell_length_b 7.87349
_cell_length_c 8.26005
_cell_angle_alpha 121.80486
_cell_angle_beta 79.02960
_cell_angle_gamma 89.67903
_cell_volume 191.00025
_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 0.77952 0.94362 0.92879 1.00000
In1 In 0.88436 0.32819 0.73332 1.00000
In2 In 0.13569 0.73615 0.25686 1.00000
F1 F 0.45570 0.27622 0.57451 1.00000
F2 F 0.85876 0.60960 0.76726 1.00000
F3 F 0.27032 0.49857 0.95940 1.00000
F4 F 0.36402 0.87140 0.74194 1.00000
F5 F 0.61333 0.61802 0.30837 1.00000
F6 F 0.67339 0.83677 0.16469 1.00000
F7 F 0.19120 0.06624 0.12387 1.00000
F8 F 0.98671 0.99644 0.52528 1.00000
F9 F 0.78700 0.21877 0.91571 1.00000
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