Li3(MgTl)4
Alexandria ALEXAlex-ID: agm005696746 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
LiMgTl2 LiMgTl Mg2Tl
2023-07-02 01:09:38.192492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696746).
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 agm005696746
data_agm005696746
_cell_length_a 3.31777
_cell_length_b 4.34833
_cell_length_c 17.32340
_cell_angle_alpha 96.98527
_cell_angle_beta 95.32160
_cell_angle_gamma 89.94177
_cell_volume 246.98290
_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 0.64327 0.63764 0.27714 1.00000
Li2 Li 0.35671 0.36238 0.72287 1.00000
Li3 Li 0.99997 0.99999 0.99998 1.00000
Mg1 Mg 0.09787 0.08909 0.18311 1.00000
Mg2 Mg 0.27450 0.27288 0.54748 1.00000
Mg3 Mg 0.72552 0.72721 0.45256 1.00000
Mg4 Mg 0.90210 0.91091 0.81689 1.00000
Tl1 Tl 0.55449 0.54791 0.09638 1.00000
Tl2 Tl 0.44544 0.45207 0.90357 1.00000
Tl3 Tl 0.81766 0.81855 0.63894 1.00000
Tl4 Tl 0.18234 0.18151 0.36109 1.00000
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