Ce6TlIn5
Alexandria ALEXAlex-ID: agm006111414 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Ce2TlIn CeIn
2023-08-28 02:32:15.198483
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111414).
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 agm006111414
data_agm006111414
_cell_length_a 4.79527
_cell_length_b 8.94664
_cell_length_c 8.94664
_cell_angle_alpha 107.03873
_cell_angle_beta 105.54179
_cell_angle_gamma 105.54179
_cell_volume 327.59955
_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
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.25013 0.08341 0.41691 1.00000
Ce2 Ce 0.74987 0.58309 0.91659 1.00000
Ce3 Ce 0.75045 0.25046 0.25046 1.00000
Ce4 Ce 0.24955 0.74954 0.74954 1.00000
Ce5 Ce 0.25013 0.41691 0.08341 1.00000
Ce6 Ce 0.74987 0.91659 0.58309 1.00000
In1 In 0.50000 0.16940 0.83060 1.00000
In2 In 0.00000 0.33353 0.66647 1.00000
In3 In 0.50000 0.50000 0.50000 1.00000
In4 In 1.00000 0.66647 0.33353 1.00000
In5 In 0.50000 0.83060 0.16940 1.00000
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