LiMg5Tl3
Alexandria ALEXAlex-ID: agm003564071 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_221_spg12
LiMgTl Mg2Tl
2022-03-25 00:48:37.703323
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003564071).
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 agm003564071
data_agm003564071
_cell_length_a 7.18200
_cell_length_b 7.18200
_cell_length_c 10.80121
_cell_angle_alpha 71.96736
_cell_angle_beta 71.96736
_cell_angle_gamma 88.66571
_cell_volume 502.12570
_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 0.92020 0.92020 0.78620 1.00000
Li2 Li 0.07980 0.07980 0.21380 1.00000
Mg1 Mg 0.97047 0.41832 0.37811 1.00000
Mg2 Mg 0.27346 0.72654 0.00000 1.00000
Mg3 Mg 0.69092 0.69092 0.08253 1.00000
Mg4 Mg 0.45908 0.45908 0.38601 1.00000
Mg5 Mg 0.54092 0.54092 0.61399 1.00000
Mg6 Mg 0.30908 0.30908 0.91747 1.00000
Mg7 Mg 0.41832 0.97047 0.37811 1.00000
Mg8 Mg 0.72654 0.27346 0.00000 1.00000
Mg9 Mg 0.02953 0.58168 0.62189 1.00000
Mg10 Mg 0.58168 0.02953 0.62189 1.00000
Tl1 Tl 0.64303 0.64303 0.82081 1.00000
Tl2 Tl 0.78093 0.78093 0.33257 1.00000
Tl3 Tl 0.00000 0.00000 0.00000 1.00000
Tl4 Tl 0.00000 0.00000 0.50000 1.00000
Tl5 Tl 0.35697 0.35697 0.17919 1.00000
Tl6 Tl 0.21907 0.21907 0.66743 1.00000
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