KLiMg2Tl5
Alexandria ALEXAlex-ID: agm005178582 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_40_spg71
KMgTl2 K6Tl17 LiMgTl2 Mg2Tl
2023-01-09 12:53:23.117303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178582).
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 agm005178582
data_agm005178582
_cell_length_a 5.14536
_cell_length_b 8.39412
_cell_length_c 8.21894
_cell_angle_alpha 120.70760
_cell_angle_beta 108.24121
_cell_angle_gamma 90.00000
_cell_volume 284.26268
_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
K1 K 0.00000 0.50000 0.00000 1.00000
Li1 Li 0.50000 0.00000 0.00000 1.00000
Mg1 Mg 0.22242 0.22242 0.44485 1.00000
Mg2 Mg 0.77758 0.77758 0.55515 1.00000
Tl1 Tl 0.65887 0.95003 0.31775 1.00000
Tl2 Tl 0.34113 0.04997 0.68225 1.00000
Tl3 Tl 0.34113 0.63229 0.68225 1.00000
Tl4 Tl 0.65887 0.36771 0.31775 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
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