Ce6Co2Hg
Alexandria ALEXAlex-ID: agm005706798 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_951_spg12
Ce5Co3Hg Ce2Hg Ce
2023-07-06 22:03:57.459814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706798).
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 agm005706798
data_agm005706798
_cell_length_a 4.58587
_cell_length_b 5.72491
_cell_length_c 8.62917
_cell_angle_alpha 93.19146
_cell_angle_beta 90.00000
_cell_angle_gamma 113.61057
_cell_volume 207.19959
_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 0.07469 0.14939 0.86639 1.00000
Ce2 Ce 0.59744 0.19488 0.18104 1.00000
Ce3 Ce 0.40256 0.80512 0.81896 1.00000
Ce4 Ce 0.70977 0.41954 0.60176 1.00000
Ce5 Ce 0.29023 0.58046 0.39824 1.00000
Ce6 Ce 0.92531 0.85061 0.13361 1.00000
Co1 Co 0.74150 0.48299 0.88283 1.00000
Co2 Co 0.25850 0.51701 0.11717 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
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