Sr2GaHg5
Alexandria ALEXAlex-ID: agm003471017 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_414_spg107
SrGa3 SrHg3
2022-05-02 16:29:09.679284
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003471017).
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
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# CIF generated by HEAS from Alexandria entry agm003471017
data_agm003471017
_cell_length_a 6.88389
_cell_length_b 6.88400
_cell_length_c 6.79959
_cell_angle_alpha 120.32761
_cell_angle_beta 120.31815
_cell_angle_gamma 90.37834
_cell_volume 224.81852
_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 0.22292 0.72008 0.44407 1.00000
Sr2 Sr 0.71986 0.22269 0.44337 1.00000
Ga1 Ga 0.22039 0.22030 0.44143 1.00000
Hg1 Hg 0.65624 0.26956 0.92556 1.00000
Hg2 Hg 0.17863 0.17893 0.96132 1.00000
Hg3 Hg 0.78517 0.78486 0.96396 1.00000
Hg4 Hg 0.26936 0.65607 0.92575 1.00000
Hg5 Hg 0.72444 0.72452 0.44855 1.00000
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