SrHgAs
Alexandria ALEXAlex-ID: agm003601488 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_84_spg12
Sr2HgAs2 Hg
2022-03-06 04:17:33.476693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003601488).
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 agm003601488
data_agm003601488
_cell_length_a 4.58936
_cell_length_b 7.06586
_cell_length_c 5.92528
_cell_angle_alpha 81.00178
_cell_angle_beta 112.78593
_cell_angle_gamma 90.01358
_cell_volume 174.58387
_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 0.71116 0.17644 0.83518 1.00000
Sr2 Sr 0.94977 0.61365 0.31289 1.00000
Hg1 Hg 0.22018 0.81089 0.85363 1.00000
Hg2 Hg 0.44074 0.97923 0.29442 1.00000
As1 As 0.65327 0.62806 0.71990 1.00000
As2 As 0.00766 0.16204 0.42816 1.00000
