CeCr2F8
Alexandria ALEXAlex-ID: agm005998438 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_493_spg12
CeCrF6 CrF2
2023-10-15 17:06:39.993901
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998438).
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 agm005998438
data_agm005998438
_cell_length_a 4.49650
_cell_length_b 6.21555
_cell_length_c 7.38914
_cell_angle_alpha 126.48005
_cell_angle_beta 89.98262
_cell_angle_gamma 92.73514
_cell_volume 165.75945
_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 0.26350 0.23353 0.61678 1.00000
Cr2 Cr 0.73650 0.76647 0.38320 1.00000
Ce1 Ce 0.00000 0.00000 0.99999 1.00000
F1 F 0.24361 0.82813 0.41423 1.00000
F2 F 0.75639 0.17187 0.58574 1.00000
F3 F 0.75116 0.78656 0.12282 1.00000
F4 F 0.24893 0.21284 0.33605 1.00000
F5 F 0.26372 0.63135 0.81550 1.00000
F6 F 0.24884 0.21345 0.87717 1.00000
F7 F 0.75107 0.78715 0.66393 1.00000
F8 F 0.73628 0.36865 0.18450 1.00000
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