Li3ZnGe3
Alexandria ALEXAlex-ID: agm003544072 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_316_spg12
Li2ZnGe Ge LiGe
2022-03-25 11:21:24.976611
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003544072).
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 agm003544072
data_agm003544072
_cell_length_a 6.72314
_cell_length_b 6.72314
_cell_length_c 6.36401
_cell_angle_alpha 92.23042
_cell_angle_beta 92.23042
_cell_angle_gamma 112.30460
_cell_volume 265.48428
_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 0.60006 0.60006 0.33257 1.00000
Li2 Li 0.11069 0.88931 0.50000 1.00000
Li3 Li 0.88931 0.11069 0.50000 1.00000
Li4 Li 0.23411 0.76589 0.00000 1.00000
Li5 Li 0.76589 0.23411 0.00000 1.00000
Li6 Li 0.39994 0.39994 0.66743 1.00000
Zn1 Zn 0.76842 0.76842 0.76541 1.00000
Zn2 Zn 0.23158 0.23158 0.23459 1.00000
Ge1 Ge 0.89233 0.89233 0.14725 1.00000
Ge2 Ge 0.84412 0.44763 0.62715 1.00000
Ge3 Ge 0.44763 0.84412 0.62715 1.00000
Ge4 Ge 0.15588 0.55237 0.37285 1.00000
Ge5 Ge 0.55237 0.15588 0.37285 1.00000
Ge6 Ge 0.10767 0.10767 0.85275 1.00000
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