CeH2F6
Alexandria ALEXAlex-ID: agm007284430 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_743_spg15
CeF4 HF
2025-02-07 04:07:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007284430).
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 agm007284430
data_agm007284430
_cell_length_a 6.33372
_cell_length_b 6.33372
_cell_length_c 7.31972
_cell_angle_alpha 88.21516
_cell_angle_beta 91.78484
_cell_angle_gamma 82.23591
_cell_volume 290.61954
_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
Ce1 Ce 0.93959 0.93959 0.75000 1.00000
Ce2 Ce 0.06041 0.06041 0.25000 1.00000
H1 H 0.84680 0.43131 0.68441 1.00000
H2 H 0.43131 0.84680 0.81559 1.00000
H3 H 0.15320 0.56869 0.31559 1.00000
H4 H 0.56869 0.15320 0.18441 1.00000
F1 F 0.77506 0.29689 0.66453 1.00000
F2 F 0.29689 0.77506 0.83547 1.00000
F3 F 0.22494 0.70311 0.33547 1.00000
F4 F 0.70311 0.22494 0.16453 1.00000
F5 F 0.39718 0.05980 0.20644 1.00000
F6 F 0.05980 0.39718 0.29356 1.00000
F7 F 0.60282 0.94020 0.79356 1.00000
F8 F 0.94020 0.60282 0.70644 1.00000
F9 F 0.06397 0.16928 0.94486 1.00000
F10 F 0.16928 0.06397 0.55514 1.00000
F11 F 0.93603 0.83072 0.05514 1.00000
F12 F 0.83072 0.93603 0.44486 1.00000
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