AcCe(PrHg2)2
Alexandria ALEXAlex-ID: agm027697207 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
CePrHg4 AcHg Ce PrHg
2025-06-30 21:44:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027697207).
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 agm027697207
data_agm027697207
_cell_length_a 5.50875
_cell_length_b 5.50875
_cell_length_c 9.64516
_cell_angle_alpha 73.26394
_cell_angle_beta 106.73606
_cell_angle_gamma 120.00102
_cell_volume 239.05617
_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
Ac1 Ac 0.50000 0.50000 0.00000 1.00000
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.74763 0.25237 0.74227 1.00000
Pr2 Pr 0.25237 0.74763 0.25773 1.00000
Hg1 Hg 0.12143 0.87857 0.86380 1.00000
Hg2 Hg 0.37353 0.62647 0.61966 1.00000
Hg3 Hg 0.87857 0.12143 0.13620 1.00000
Hg4 Hg 0.62647 0.37353 0.38034 1.00000
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