GdDy2F9
Alexandria ALEXAlex-ID: agm102052294 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_487_spg147
DyF3 GdF3
2025-05-19 13:56:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102052294).
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 agm102052294
data_agm102052294
_cell_length_a 4.31631
_cell_length_b 6.81217
_cell_length_c 7.05636
_cell_angle_alpha 61.91285
_cell_angle_beta 89.84209
_cell_angle_gamma 92.53191
_cell_volume 182.80239
_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
Gd1 Gd 0.02555 0.08113 0.92270 1.00000
Dy1 Dy 0.99767 0.74206 0.61563 1.00000
Dy2 Dy 0.11226 0.37565 0.28871 1.00000
F1 F 0.50188 0.72077 0.55045 1.00000
F2 F 0.99038 0.42223 0.58270 1.00000
F3 F 0.08574 0.44679 0.94069 1.00000
F4 F 0.53316 0.16065 0.93501 1.00000
F5 F 0.61040 0.37755 0.26968 1.00000
F6 F 0.00114 0.04251 0.27749 1.00000
F7 F 0.15915 0.73462 0.16615 1.00000
F8 F 0.21179 0.06765 0.60658 1.00000
F9 F 0.77088 0.82838 0.84420 1.00000
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