Ce11Hg9Ir4
Alexandria ALEXAlex-ID: agm005736624 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B9C11_1_spg65
Ce11Hg9Ir4
2023-07-12 19:17:55.741174
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736624).
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 agm005736624
data_agm005736624
_cell_length_a 3.70073
_cell_length_b 13.21362
_cell_length_c 13.21362
_cell_angle_alpha 111.39997
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 601.59795
_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 0.57792 0.92348 1.00000
Ce2 Ce 0.00000 0.42208 0.07652 1.00000
Ce3 Ce 0.00000 0.92348 0.57792 1.00000
Ce4 Ce 0.00000 0.07652 0.42208 1.00000
Ce5 Ce 0.00000 0.62816 0.37184 1.00000
Ce6 Ce 0.00000 0.37184 0.62816 1.00000
Ce7 Ce 0.00000 0.84495 0.15505 1.00000
Ce8 Ce 0.00000 0.15505 0.84495 1.00000
Ce9 Ce 0.00000 0.00000 0.00000 1.00000
Ce10 Ce 0.00000 0.68826 0.68826 1.00000
Ce11 Ce 0.00000 0.31174 0.31174 1.00000
Hg1 Hg 0.50000 0.63960 0.15574 1.00000
Hg2 Hg 0.50000 0.36040 0.84426 1.00000
Hg3 Hg 0.50000 0.15574 0.63960 1.00000
Hg4 Hg 0.50000 0.84426 0.36040 1.00000
Hg5 Hg 0.50000 0.78172 0.92500 1.00000
Hg6 Hg 0.50000 0.21828 0.07500 1.00000
Hg7 Hg 0.50000 0.92500 0.78172 1.00000
Hg8 Hg 0.50000 0.07500 0.21828 1.00000
Hg9 Hg 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.50000 0.54870 0.75115 1.00000
Ir2 Ir 0.50000 0.45130 0.24885 1.00000
Ir3 Ir 0.50000 0.75115 0.54870 1.00000
Ir4 Ir 0.50000 0.24885 0.45130 1.00000
