Sr3Sn3Hg8
Alexandria ALEXAlex-ID: agm005681013 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
SrSnHg Hg
2023-06-29 11:40:24.196380
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681013).
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 agm005681013
data_agm005681013
_cell_length_a 5.15612
_cell_length_b 9.46300
_cell_length_c 9.44144
_cell_angle_alpha 65.07814
_cell_angle_beta 74.15368
_cell_angle_gamma 74.19073
_cell_volume 395.30499
_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 0.29560 0.70797 0.70083 1.00000
Sr2 Sr 0.70440 0.29203 0.29917 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.50000 0.50000 1.00000
Sn2 Sn 0.64382 0.71722 0.99514 1.00000
Sn3 Sn 0.35618 0.28278 0.00486 1.00000
Hg1 Hg 0.14427 0.13436 0.57709 1.00000
Hg2 Hg 0.85573 0.86564 0.42291 1.00000
Hg3 Hg 0.84342 0.44637 0.86678 1.00000
Hg4 Hg 0.15658 0.55363 0.13322 1.00000
Hg5 Hg 0.49323 0.68133 0.33221 1.00000
Hg6 Hg 0.50677 0.31867 0.66779 1.00000
Hg7 Hg 0.34003 0.02158 0.29836 1.00000
Hg8 Hg 0.65997 0.97842 0.70164 1.00000
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