La2Y5Tl2
Alexandria ALEXAlex-ID: agm010017320 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_16_spg12
La3Tl Y5Tl3 LaY2
2024-04-06 14:59:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010017320).
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 agm010017320
data_agm010017320
_cell_length_a 6.70478
_cell_length_b 6.70478
_cell_length_c 12.22780
_cell_angle_alpha 72.17321
_cell_angle_beta 72.17321
_cell_angle_gamma 33.25836
_cell_volume 285.65760
_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
La1 La 0.01034 0.01034 0.65796 1.00000
La2 La 0.98966 0.98966 0.34204 1.00000
Y1 Y 0.68435 0.68435 0.12081 1.00000
Y2 Y 0.31565 0.31565 0.87919 1.00000
Y3 Y 0.30344 0.30344 0.58948 1.00000
Y4 Y 0.69656 0.69656 0.41052 1.00000
Y5 Y 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.64522 0.64522 0.80210 1.00000
Tl2 Tl 0.35478 0.35478 0.19790 1.00000
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