SrCe2Hg3
Alexandria ALEXAlex-ID: agm014046829 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_936_spg15
CeHg SrHg
2025-04-15 10:57:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014046829).
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 agm014046829
data_agm014046829
_cell_length_a 9.51043
_cell_length_b 9.51043
_cell_length_c 9.51043
_cell_angle_alpha 146.48740
_cell_angle_beta 131.57675
_cell_angle_gamma 60.17272
_cell_volume 352.01194
_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 0.08044 0.83044 0.25000 1.00000
Sr2 Sr 0.91956 0.16956 0.75000 1.00000
Ce1 Ce 0.41573 0.16573 0.25000 1.00000
Ce2 Ce 0.75317 0.50317 0.25000 1.00000
Ce3 Ce 0.58427 0.83427 0.75000 1.00000
Ce4 Ce 0.24683 0.49683 0.75000 1.00000
Hg1 Hg 0.17959 0.66265 0.51694 1.00000
Hg2 Hg 0.35428 0.33735 0.01694 1.00000
Hg3 Hg 0.50000 0.00000 0.50000 1.00000
Hg4 Hg 0.82041 0.33735 0.48306 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
Hg6 Hg 0.64572 0.66265 0.98306 1.00000
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