SrCe5Hg6
Alexandria ALEXAlex-ID: agm006136808 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
CeHg SrHg
2023-09-09 18:47:11.797939
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136808).
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 agm006136808
data_agm006136808
_cell_length_a 5.49382
_cell_length_b 7.59394
_cell_length_c 9.48339
_cell_angle_alpha 113.60301
_cell_angle_beta 106.83861
_cell_angle_gamma 89.99684
_cell_volume 343.95671
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.16722 0.42327 0.33444 1.00000
Hg2 Hg 0.16721 0.91117 0.33444 1.00000
Hg3 Hg 0.50000 0.26231 1.00000 1.00000
Hg4 Hg 0.50000 0.73769 0.00000 1.00000
Hg5 Hg 0.83279 0.08883 0.66556 1.00000
Hg6 Hg 0.83278 0.57673 0.66556 1.00000
Ce1 Ce 0.33377 0.83377 0.66754 1.00000
Ce2 Ce 0.67012 0.67012 0.34024 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.32988 0.32988 0.65976 1.00000
Ce5 Ce 0.66623 0.16623 0.33246 1.00000
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