Hg4SbSe2Cl5
Alexandria ALEXAlex-ID: agm020073048 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D5_62_spg4
Hg4SbSe2Cl5
2024-12-10 17:04:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020073048).
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 agm020073048
data_agm020073048
_cell_length_a 8.43723
_cell_length_b 10.76756
_cell_length_c 9.15917
_cell_angle_alpha 90.00000
_cell_angle_beta 113.33679
_cell_angle_gamma 90.00000
_cell_volume 764.02410
_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
Hg1 Hg 0.57458 0.18041 0.66657 1.00000
Hg2 Hg 0.42542 0.68041 0.33343 1.00000
Hg3 Hg 0.53975 0.66972 0.64483 1.00000
Hg4 Hg 0.46025 0.16972 0.35517 1.00000
Hg5 Hg 0.01165 0.18745 0.00387 1.00000
Hg6 Hg 0.98835 0.68745 0.99613 1.00000
Hg7 Hg 0.69564 0.43141 0.99833 1.00000
Hg8 Hg 0.30436 0.93141 0.00167 1.00000
Sb1 Sb 0.00122 0.42480 0.48956 1.00000
Sb2 Sb 0.99878 0.92480 0.51044 1.00000
Se1 Se 0.70131 0.19469 0.97658 1.00000
Se2 Se 0.29869 0.69469 0.02342 1.00000
Se3 Se 0.32489 0.16679 0.04463 1.00000
Se4 Se 0.67511 0.66679 0.95537 1.00000
Cl1 Cl 0.67364 0.91923 0.32806 1.00000
Cl2 Cl 0.32636 0.41923 0.67194 1.00000
Cl3 Cl 0.65121 0.43035 0.29542 1.00000
Cl4 Cl 0.34879 0.93035 0.70458 1.00000
Cl5 Cl 0.08026 0.45395 0.22463 1.00000
Cl6 Cl 0.91974 0.95395 0.77537 1.00000
Cl7 Cl 0.91745 0.38848 0.72851 1.00000
Cl8 Cl 0.08255 0.88848 0.27149 1.00000
Cl9 Cl 0.00234 0.20086 0.43592 1.00000
Cl10 Cl 0.99766 0.70086 0.56408 1.00000
