Li6ZnGe8
Alexandria ALEXAlex-ID: agm072142294 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Li2ZnGe Ge LiGe
2024-10-06 16:10:24.992452
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072142294).
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 agm072142294
data_agm072142294
_cell_length_a 6.90472
_cell_length_b 6.90472
_cell_length_c 6.90472
_cell_angle_alpha 66.95996
_cell_angle_beta 66.95996
_cell_angle_gamma 66.95996
_cell_volume 267.50547
_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 0.16890 0.64971 0.41172 1.00000
Li2 Li 0.41172 0.16890 0.64971 1.00000
Li3 Li 0.64971 0.41172 0.16890 1.00000
Li4 Li 0.83110 0.35029 0.58828 1.00000
Li5 Li 0.58828 0.83110 0.35029 1.00000
Li6 Li 0.35029 0.58828 0.83110 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.28597 0.28597 0.28597 1.00000
Ge2 Ge 0.71403 0.71403 0.71403 1.00000
Ge3 Ge 0.84748 0.04135 0.41762 1.00000
Ge4 Ge 0.41762 0.84748 0.04135 1.00000
Ge5 Ge 0.04135 0.41762 0.84748 1.00000
Ge6 Ge 0.15252 0.95865 0.58238 1.00000
Ge7 Ge 0.58238 0.15252 0.95865 1.00000
Ge8 Ge 0.95865 0.58238 0.15252 1.00000
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