Y2TlO
Alexandria ALEXAlex-ID: agm005688043 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_61_spg129
Y5Tl3 Y5Tl4 Y2O3
2023-07-13 06:09:17.397348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688043).
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 agm005688043
data_agm005688043
_cell_length_a 4.54136
_cell_length_b 4.54136
_cell_length_c 8.81249
_cell_angle_alpha 90.09686
_cell_angle_beta 90.09686
_cell_angle_gamma 90.00006
_cell_volume 181.74750
_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 0.75086 0.75086 0.83013 1.00000
Y2 Y 0.74996 0.25004 0.50000 1.00000
Y3 Y 0.24914 0.24914 0.16987 1.00000
Y4 Y 0.25004 0.74996 0.50000 1.00000
Tl1 Tl 0.25095 0.25095 0.80287 1.00000
Tl2 Tl 0.74905 0.74905 0.19713 1.00000
O1 O 0.24964 0.24964 0.42983 1.00000
O2 O 0.75036 0.75036 0.57017 1.00000
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