Y4Tl5In
Alexandria ALEXAlex-ID: agm006128693 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_275_spg12
Y3Tl5 YTl Y3In5
2023-10-18 08:59:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006128693).
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 agm006128693
data_agm006128693
_cell_length_a 4.92950
_cell_length_b 6.57787
_cell_length_c 9.72306
_cell_angle_alpha 115.56835
_cell_angle_beta 104.68437
_cell_angle_gamma 89.99984
_cell_volume 272.94101
_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
Y1 Y 0.69930 0.27804 0.39861 1.00000
Y2 Y 0.08631 0.83869 0.17261 1.00000
Y3 Y 0.30070 0.72196 0.60139 1.00000
Y4 Y 0.91369 0.16131 0.82739 1.00000
Tl1 Tl 0.29617 0.20378 0.59234 1.00000
Tl2 Tl 0.10583 0.36821 0.21166 1.00000
Tl3 Tl 0.89417 0.63179 0.78834 1.00000
Tl4 Tl 0.50000 0.50000 0.00000 1.00000
Tl5 Tl 0.70383 0.79622 0.40766 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
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