Li(Mg3Tl)2
Alexandria ALEXAlex-ID: agm005675673 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_643_spg12
Mg3Tl LiMgTl Mg
2023-07-08 13:58:59.817289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005675673).
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 agm005675673
data_agm005675673
_cell_length_a 4.48179
_cell_length_b 5.51553
_cell_length_c 9.56347
_cell_angle_alpha 106.60302
_cell_angle_beta 90.00000
_cell_angle_gamma 113.97188
_cell_volume 205.17932
_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 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.33424 0.66848 0.94540 1.00000
Mg2 Mg 0.66576 0.33152 0.05460 1.00000
Mg3 Mg 0.00181 0.00362 0.16728 1.00000
Mg4 Mg 0.66830 0.33660 0.39043 1.00000
Mg5 Mg 0.99819 0.99638 0.83272 1.00000
Mg6 Mg 0.33170 0.66340 0.60957 1.00000
Tl1 Tl 0.66182 0.32364 0.71681 1.00000
Tl2 Tl 0.33818 0.67636 0.28319 1.00000
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