K3In3Hg2
Alexandria ALEXAlex-ID: agm009014293 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
K17In41 K5Hg7 K8In11
2024-05-14 07:16:47.873554
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009014293).
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 agm009014293
data_agm009014293
_cell_length_a 6.65407
_cell_length_b 6.65407
_cell_length_c 17.13692
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 133.06543
_cell_volume 554.33508
_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
K1 K 0.08919 0.91081 0.88728 1.00000
K2 K 0.91081 0.08919 0.38728 1.00000
K3 K 0.08919 0.91081 0.61272 1.00000
K4 K 0.91081 0.08919 0.11272 1.00000
K5 K 0.39698 0.60302 0.75000 1.00000
K6 K 0.60302 0.39698 0.25000 1.00000
In1 In 0.37962 0.62038 0.96686 1.00000
In2 In 0.62038 0.37962 0.46686 1.00000
In3 In 0.37962 0.62038 0.53314 1.00000
In4 In 0.62038 0.37962 0.03314 1.00000
In5 In 0.69607 0.30393 0.75000 1.00000
In6 In 0.30393 0.69607 0.25000 1.00000
Hg1 Hg 0.20309 0.79691 0.40455 1.00000
Hg2 Hg 0.79691 0.20309 0.90455 1.00000
Hg3 Hg 0.20309 0.79691 0.09545 1.00000
Hg4 Hg 0.79691 0.20309 0.59545 1.00000
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