DyCrF6
Alexandria ALEXAlex-ID: agm076189848 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1_spg225
DyCrF6
2025-07-01 19:32:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076189848).
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 agm076189848
data_agm076189848
_cell_length_a 5.36512
_cell_length_b 5.36512
_cell_length_c 5.37381
_cell_angle_alpha 70.00792
_cell_angle_beta 109.99208
_cell_angle_gamma 84.16574
_cell_volume 132.35325
_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 0.42113 0.57887 0.72322 1.00000
Cr1 Cr 0.90543 0.09457 0.56013 1.00000
F1 F 0.07511 0.92489 0.37253 1.00000
F2 F 0.63251 0.36749 0.19084 1.00000
F3 F 0.15408 0.33612 0.57497 1.00000
F4 F 0.73697 0.26303 0.74882 1.00000
F5 F 0.19620 0.80380 0.90155 1.00000
F6 F 0.66388 0.84592 0.57497 1.00000
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