DyCr2F8
Alexandria ALEXAlex-ID: agm005998470 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_545_spg12
DyCrF6 CrF2
2023-10-15 13:13:40.101213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998470).
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 agm005998470
data_agm005998470
_cell_length_a 4.38276
_cell_length_b 7.21184
_cell_length_c 6.11118
_cell_angle_alpha 126.16477
_cell_angle_beta 87.83614
_cell_angle_gamma 89.99628
_cell_volume 155.77213
_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
Cr1 Cr 0.26033 0.38122 0.76246 1.00000
Cr2 Cr 0.73967 0.61878 0.23752 1.00000
F1 F 0.24494 0.58792 0.17570 1.00000
F2 F 0.75506 0.41208 0.82427 1.00000
F3 F 0.75274 0.87768 0.21091 1.00000
F4 F 0.26041 0.18321 0.36655 1.00000
F5 F 0.24714 0.66668 0.78900 1.00000
F6 F 0.24726 0.12233 0.78908 1.00000
F7 F 0.73960 0.81678 0.63343 1.00000
F8 F 0.75286 0.33332 0.21100 1.00000
Dy1 Dy 0.00000 0.00000 0.99999 1.00000
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