LiTm2Ga3
Alexandria ALEXAlex-ID: agm005667784 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_769_spg69
TmGa Li2Ga Tm3Ga5
2023-08-22 10:40:54.578581
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667784).
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 agm005667784
data_agm005667784
_cell_length_a 5.64388
_cell_length_b 5.64388
_cell_length_c 8.45788
_cell_angle_alpha 104.73122
_cell_angle_beta 104.73122
_cell_angle_gamma 103.76029
_cell_volume 238.44719
_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 0.33180 0.33180 0.66361 1.00000
Li2 Li 0.66820 0.66820 0.33639 1.00000
Tm1 Tm 0.25000 0.75000 0.50000 1.00000
Tm2 Tm 0.74768 0.74768 1.00000 1.00000
Tm3 Tm 0.75000 0.25000 0.50000 1.00000
Tm4 Tm 0.25232 0.25232 0.00000 1.00000
Ga1 Ga 0.66373 0.16683 0.83056 1.00000
Ga2 Ga 0.83317 0.33627 0.16944 1.00000
Ga3 Ga 0.33627 0.83317 0.16944 1.00000
Ga4 Ga 0.16683 0.66373 0.83056 1.00000
Ga5 Ga 0.83197 0.83197 0.66394 1.00000
Ga6 Ga 0.16803 0.16803 0.33606 1.00000
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