Na3(SrHg3)2
Alexandria ALEXAlex-ID: agm005609081 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_207_spg65
SrHg2 SrHg NaHg
2023-06-12 17:20:54.993182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609081).
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 agm005609081
data_agm005609081
_cell_length_a 4.29314
_cell_length_b 9.17204
_cell_length_c 9.17204
_cell_angle_alpha 70.71862
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 340.90732
_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
Na1 Na 0.00000 0.22730 0.22730 1.00000
Na2 Na 0.00000 0.77270 0.77270 1.00000
Na3 Na 0.50000 0.00000 0.00000 1.00000
Sr1 Sr 0.00000 0.30602 0.69398 1.00000
Sr2 Sr 0.00000 0.69398 0.30602 1.00000
Hg1 Hg 0.50000 0.38593 0.38593 1.00000
Hg2 Hg 0.50000 0.61407 0.61407 1.00000
Hg3 Hg 0.50000 0.94618 0.36636 1.00000
Hg4 Hg 0.50000 0.05382 0.63364 1.00000
Hg5 Hg 0.50000 0.36636 0.94618 1.00000
Hg6 Hg 0.50000 0.63364 0.05382 1.00000
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