Ce6HgRu5
Alexandria ALEXAlex-ID: agm006136384 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
Ce11Hg9Ru4 Ce6HgRu2 CeRu
2023-09-05 12:21:27.378307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136384).
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 agm006136384
data_agm006136384
_cell_length_a 5.16158
_cell_length_b 6.88617
_cell_length_c 7.53113
_cell_angle_alpha 89.99532
_cell_angle_beta 108.14353
_cell_angle_gamma 89.98725
_cell_volume 254.37316
_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
Ru1 Ru 0.57905 0.50035 0.29962 1.00000
Ru2 Ru 0.39955 0.00039 0.68601 1.00000
Ru3 Ru 0.00000 0.50000 0.00000 1.00000
Ru4 Ru 0.60045 0.99961 0.31399 1.00000
Ru5 Ru 0.42095 0.49965 0.70038 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.84624 0.74212 0.63245 1.00000
Ce2 Ce 0.84650 0.25713 0.63193 1.00000
Ce3 Ce 0.50009 0.26200 0.00003 1.00000
Ce4 Ce 0.49991 0.73800 0.99997 1.00000
Ce5 Ce 0.15350 0.74287 0.36807 1.00000
Ce6 Ce 0.15376 0.25788 0.36755 1.00000
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