Li7Hg3Ge
Alexandria ALEXAlex-ID: agm005990621 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_321_spg63
Li4Hg3 Li8Ge3 Li15Ge4
2023-08-12 03:03:57.540312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990621).
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 agm005990621
data_agm005990621
_cell_length_a 3.03513
_cell_length_b 8.82740
_cell_length_c 15.58630
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 99.89920
_cell_volume 411.37585
_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
Li1 Li 0.39934 0.79868 0.75000 1.00000
Li2 Li 0.60066 0.20132 0.25000 1.00000
Li3 Li 0.51288 0.02576 0.39796 1.00000
Li4 Li 0.48712 0.97424 0.60204 1.00000
Li5 Li 0.48712 0.97424 0.89796 1.00000
Li6 Li 0.51288 0.02576 0.10204 1.00000
Li7 Li 0.36659 0.73319 0.34063 1.00000
Li8 Li 0.63341 0.26681 0.65937 1.00000
Li9 Li 0.27675 0.55350 0.57829 1.00000
Li10 Li 0.72325 0.44650 0.42171 1.00000
Li11 Li 0.72325 0.44650 0.07829 1.00000
Li12 Li 0.27675 0.55350 0.92171 1.00000
Li13 Li 0.36659 0.73319 0.15937 1.00000
Li14 Li 0.63341 0.26681 0.84063 1.00000
Hg1 Hg 0.11169 0.22338 0.50647 1.00000
Hg2 Hg 0.88831 0.77662 0.49353 1.00000
Hg3 Hg 0.24434 0.48869 0.75000 1.00000
Hg4 Hg 0.75566 0.51131 0.25000 1.00000
Hg5 Hg 0.11169 0.22338 0.99353 1.00000
Hg6 Hg 0.88831 0.77662 0.00647 1.00000
Ge1 Ge 0.97011 0.94023 0.25000 1.00000
Ge2 Ge 0.02989 0.05977 0.75000 1.00000
