LaY7Tl4
Alexandria ALEXAlex-ID: agm006082425 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_185_spg2
Y5Tl3 La3Tl LaY2
2023-08-16 07:38:58.109947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006082425).
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 agm006082425
data_agm006082425
_cell_length_a 6.39822
_cell_length_b 8.56722
_cell_length_c 8.59133
_cell_angle_alpha 78.85962
_cell_angle_beta 51.86033
_cell_angle_gamma 89.54575
_cell_volume 359.60695
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.74980 0.93945 0.51064 1.00000
Y2 Y 0.25020 0.06055 0.48936 1.00000
Y3 Y 0.05542 0.62558 0.29765 1.00000
Y4 Y 0.94458 0.37442 0.70235 1.00000
Y5 Y 0.34335 0.57602 0.80493 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.65665 0.42398 0.19507 1.00000
Tl1 Tl 0.53932 0.27027 0.62485 1.00000
Tl2 Tl 0.46068 0.72973 0.37515 1.00000
Tl3 Tl 0.84106 0.71347 0.80774 1.00000
Tl4 Tl 0.15894 0.28653 0.19226 1.00000
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