K3LiGe4
Alexandria ALEXAlex-ID: agm005247328 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_173_spg62
K3LiGe4
2024-10-06 00:33:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005247328).
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 agm005247328
data_agm005247328
_cell_length_a 7.79091
_cell_length_b 9.88049
_cell_length_c 12.51326
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 963.24590
_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 0.15802 0.25000 0.59821 1.00000
K2 K 0.84198 0.75000 0.40179 1.00000
K3 K 0.34198 0.75000 0.09821 1.00000
K4 K 0.65802 0.25000 0.90179 1.00000
K5 K 0.15932 0.05361 0.30470 1.00000
K6 K 0.84068 0.94639 0.69530 1.00000
K7 K 0.34068 0.94639 0.80470 1.00000
K8 K 0.84068 0.55361 0.69530 1.00000
K9 K 0.65932 0.05361 0.19530 1.00000
K10 K 0.15932 0.44639 0.30470 1.00000
K11 K 0.65932 0.44639 0.19530 1.00000
K12 K 0.34068 0.55361 0.80470 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Li2 Li 0.50000 0.00000 0.50000 1.00000
Li3 Li 0.00000 0.50000 0.00000 1.00000
Li4 Li 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.63288 0.25000 0.60581 1.00000
Ge2 Ge 0.36712 0.75000 0.39419 1.00000
Ge3 Ge 0.86712 0.75000 0.10581 1.00000
Ge4 Ge 0.13288 0.25000 0.89419 1.00000
Ge5 Ge 0.29437 0.12163 0.04805 1.00000
Ge6 Ge 0.70563 0.87837 0.95195 1.00000
Ge7 Ge 0.20563 0.87837 0.54805 1.00000
Ge8 Ge 0.70563 0.62163 0.95195 1.00000
Ge9 Ge 0.79437 0.12163 0.45195 1.00000
Ge10 Ge 0.29437 0.37837 0.04805 1.00000
Ge11 Ge 0.79437 0.37837 0.45195 1.00000
Ge12 Ge 0.20563 0.62163 0.54805 1.00000
Ge13 Ge 0.00735 0.25000 0.08922 1.00000
Ge14 Ge 0.99265 0.75000 0.91078 1.00000
Ge15 Ge 0.49265 0.75000 0.58922 1.00000
Ge16 Ge 0.50735 0.25000 0.41078 1.00000
