YCr2F8
Alexandria ALEXAlex-ID: agm005996448 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_493_spg12
YCrF6 CrF2
2023-10-15 11:40:34.107366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996448).
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 agm005996448
data_agm005996448
_cell_length_a 4.38164
_cell_length_b 7.22483
_cell_length_c 6.11903
_cell_angle_alpha 126.18276
_cell_angle_beta 87.81582
_cell_angle_gamma 89.99667
_cell_volume 156.17404
_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
Y1 Y 0.00000 0.00000 0.99999 1.00000
Cr1 Cr 0.26018 0.38132 0.76264 1.00000
Cr2 Cr 0.73982 0.61868 0.23734 1.00000
F1 F 0.24489 0.58776 0.17541 1.00000
F2 F 0.75511 0.41224 0.82457 1.00000
F3 F 0.75246 0.87742 0.21134 1.00000
F4 F 0.26095 0.18350 0.36714 1.00000
F5 F 0.24740 0.66601 0.78856 1.00000
F6 F 0.24754 0.12259 0.78865 1.00000
F7 F 0.73905 0.81649 0.63284 1.00000
F8 F 0.75260 0.33399 0.21144 1.00000
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