Sr2Hg5Au4
Alexandria ALEXAlex-ID: agm005667190 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1025_spg69
SrAu2 Hg
2023-06-22 15:08:49.454582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667190).
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 agm005667190
data_agm005667190
_cell_length_a 6.17181
_cell_length_b 5.79280
_cell_length_c 9.88795
_cell_angle_alpha 80.42997
_cell_angle_beta 71.81495
_cell_angle_gamma 57.81104
_cell_volume 284.23501
_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 0.86559 0.00000 0.26882 1.00000
Sr2 Sr 0.13441 0.00000 0.73118 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Hg2 Hg 0.00000 0.50000 0.00000 1.00000
Hg3 Hg 0.50000 0.50000 0.00000 1.00000
Hg4 Hg 0.25000 0.50000 0.50000 1.00000
Hg5 Hg 0.75000 0.50000 0.50000 1.00000
Au1 Au 0.48338 0.29882 0.73442 1.00000
Au2 Au 0.51662 0.70118 0.26558 1.00000
Au3 Au 0.21780 0.29882 0.26558 1.00000
Au4 Au 0.78220 0.70118 0.73442 1.00000
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