Li2ThGa2
Alexandria ALEXAlex-ID: agm005919085 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_186_spg74
ThGa Li2Ga
2023-08-03 20:46:06.797779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005919085).
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 agm005919085
data_agm005919085
_cell_length_a 4.25866
_cell_length_b 4.15119
_cell_length_c 12.33945
_cell_angle_alpha 99.68363
_cell_angle_beta 99.93688
_cell_angle_gamma 90.00000
_cell_volume 211.71422
_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 0.54700 0.29700 0.09401 1.00000
Li2 Li 0.94969 0.19969 0.89938 1.00000
Li3 Li 0.45300 0.70300 0.90599 1.00000
Li4 Li 0.05031 0.80031 0.10062 1.00000
Th1 Th 0.82721 0.57721 0.65442 1.00000
Th2 Th 0.17279 0.42279 0.34558 1.00000
Ga1 Ga 0.72243 0.97243 0.44486 1.00000
Ga2 Ga 0.27757 0.02757 0.55514 1.00000
Ga3 Ga 0.38266 0.13266 0.76532 1.00000
Ga4 Ga 0.61734 0.86734 0.23468 1.00000
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