CeHg8F6
Alexandria ALEXAlex-ID: agm072760587 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_71_spg148
HgF Ce4F15 Hg
2024-10-06 08:30:04.829455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072760587).
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 agm072760587
data_agm072760587
_cell_length_a 7.46997
_cell_length_b 8.38000
_cell_length_c 8.52574
_cell_angle_alpha 123.05121
_cell_angle_beta 115.87386
_cell_angle_gamma 88.33737
_cell_volume 386.73125
_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 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.43379 0.59244 0.36358 1.00000
Hg2 Hg 0.56621 0.40756 0.63642 1.00000
Hg3 Hg 0.78599 0.50520 0.19566 1.00000
Hg4 Hg 0.12863 0.83578 0.47463 1.00000
Hg5 Hg 0.44938 0.16696 0.85863 1.00000
Hg6 Hg 0.21401 0.49480 0.80434 1.00000
Hg7 Hg 0.87137 0.16422 0.52537 1.00000
Hg8 Hg 0.55062 0.83304 0.14137 1.00000
F1 F 0.10784 0.86213 0.16708 1.00000
F2 F 0.04834 0.27826 0.29505 1.00000
F3 F 0.68103 0.90908 0.91937 1.00000
F4 F 0.89216 0.13787 0.83292 1.00000
F5 F 0.95166 0.72174 0.70495 1.00000
F6 F 0.31897 0.09092 0.08063 1.00000
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