Li2GeIr2
Alexandria ALEXAlex-ID: agm005961925 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_9_spg166
Li3(GeIr)2 LiIr3 LiIr
2023-08-03 20:38:05.264181
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961925).
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 agm005961925
data_agm005961925
_cell_length_a 4.16421
_cell_length_b 5.04888
_cell_length_c 4.16266
_cell_angle_alpha 114.34736
_cell_angle_beta 120.01227
_cell_angle_gamma 90.00001
_cell_volume 66.64330
_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 0.19145 0.57269 0.38290 1.00000
Li2 Li 0.80855 0.42731 0.61710 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.39921 0.20265 0.79841 1.00000
Ir2 Ir 0.60079 0.79735 0.20159 1.00000
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