SrHgPbAu2
Alexandria ALEXAlex-ID: agm058317288 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_37_spg107
SrAu2 Pb Hg
2025-04-16 18:11:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058317288).
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 agm058317288
data_agm058317288
_cell_length_a 7.35635
_cell_length_b 7.35635
_cell_length_c 7.35635
_cell_angle_alpha 144.31873
_cell_angle_beta 144.31873
_cell_angle_gamma 51.35095
_cell_volume 134.70781
_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 0.25000 0.75000 0.50000 1.00000
Pb1 Pb 0.75000 0.25000 0.50000 1.00000
Au1 Au 0.60134 0.60134 0.00000 1.00000
Au2 Au 0.39866 0.39866 0.00000 1.00000
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