Cs(Li2Hg)4
Alexandria ALEXAlex-ID: agm098046356 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1370_spg8
Li2Hg Cs
2025-06-22 01:19:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098046356).
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 agm098046356
data_agm098046356
_cell_length_a 4.10486
_cell_length_b 9.24566
_cell_length_c 9.00476
_cell_angle_alpha 113.22433
_cell_angle_beta 76.75542
_cell_angle_gamma 103.08456
_cell_volume 302.14756
_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
Cs1 Cs 0.34764 0.90855 0.81903 1.00000
Li1 Li 0.65811 0.91224 0.20912 1.00000
Li2 Li 0.45094 0.42111 0.13528 1.00000
Li3 Li 0.62343 0.20329 0.57209 1.00000
Li4 Li 0.84206 0.49387 0.42773 1.00000
Li5 Li 0.23761 0.19490 0.33244 1.00000
Li6 Li 0.47302 0.71876 0.39072 1.00000
Li7 Li 0.65094 0.56417 0.88193 1.00000
Li8 Li 0.03261 0.31850 0.86784 1.00000
Hg1 Hg 0.84192 0.21046 0.13774 1.00000
Hg2 Hg 0.06211 0.64158 0.13894 1.00000
Hg3 Hg 0.22356 0.45337 0.62720 1.00000
Hg4 Hg 0.05605 0.95921 0.45993 1.00000
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