K(MgTl2)4
Alexandria ALEXAlex-ID: agm003671114 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_115_spg166
K6Tl17 Mg2Tl Tl
2022-04-20 22:15:39.128215
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003671114).
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 agm003671114
data_agm003671114
_cell_length_a 9.33631
_cell_length_b 9.33631
_cell_length_c 9.33631
_cell_angle_alpha 46.98218
_cell_angle_beta 46.98218
_cell_angle_gamma 46.98218
_cell_volume 397.65779
_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 0.00000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.50000 0.50000 0.00000 1.00000
Mg3 Mg 0.00000 0.50000 0.50000 1.00000
Mg4 Mg 0.50000 0.00000 0.50000 1.00000
Tl1 Tl 0.80428 0.25517 0.25517 1.00000
Tl2 Tl 0.25517 0.25517 0.80428 1.00000
Tl3 Tl 0.25517 0.80428 0.25517 1.00000
Tl4 Tl 0.22692 0.22692 0.22692 1.00000
Tl5 Tl 0.77308 0.77308 0.77308 1.00000
Tl6 Tl 0.74483 0.74483 0.19572 1.00000
Tl7 Tl 0.74483 0.19572 0.74483 1.00000
Tl8 Tl 0.19572 0.74483 0.74483 1.00000
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