K2LaHg4
Alexandria ALEXAlex-ID: agm026465271 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1633_spg166
LaHg2 KHg
2025-06-17 08:41:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026465271).
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
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# CIF generated by HEAS from Alexandria entry agm026465271
data_agm026465271
_cell_length_a 5.13375
_cell_length_b 5.13375
_cell_length_c 11.61130
_cell_angle_alpha 77.50398
_cell_angle_beta 102.49602
_cell_angle_gamma 120.03502
_cell_volume 256.52867
_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 0.11290 0.88710 0.34747 1.00000
K2 K 0.88710 0.11290 0.65253 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.71535 0.28465 0.15042 1.00000
Hg2 Hg 0.28465 0.71535 0.84958 1.00000
Hg3 Hg 0.61800 0.38200 0.85007 1.00000
Hg4 Hg 0.38200 0.61800 0.14993 1.00000
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