CeMg5Tl6
Alexandria ALEXAlex-ID: agm006111252 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Mg2Tl CeTl3 Tl
2023-08-31 14:14:26.048836
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111252).
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 agm006111252
data_agm006111252
_cell_length_a 5.10886
_cell_length_b 7.48281
_cell_length_c 9.20350
_cell_angle_alpha 113.98728
_cell_angle_beta 106.11525
_cell_angle_gamma 89.99713
_cell_volume 306.25902
_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
Mg1 Mg 0.66620 0.16620 0.33239 1.00000
Mg2 Mg 0.32685 0.32685 0.65371 1.00000
Mg3 Mg 0.00000 0.50000 0.00000 1.00000
Mg4 Mg 0.67315 0.67315 0.34629 1.00000
Mg5 Mg 0.33380 0.83380 0.66761 1.00000
Tl1 Tl 0.83028 0.57276 0.66058 1.00000
Tl2 Tl 0.83030 0.08782 0.66058 1.00000
Tl3 Tl 0.50000 0.72836 1.00000 1.00000
Tl4 Tl 0.50000 0.27164 0.00000 1.00000
Tl5 Tl 0.16970 0.91218 0.33942 1.00000
Tl6 Tl 0.16972 0.42724 0.33942 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
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