YNbTl2
Alexandria ALEXAlex-ID: agm002903444 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
Y3Tl5 YTl3 Nb
2016-12-16 14:59:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002903444).
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 agm002903444
data_agm002903444
_cell_length_a 4.49457
_cell_length_b 4.49457
_cell_length_c 11.16045
_cell_angle_alpha 78.38342
_cell_angle_beta 78.38342
_cell_angle_gamma 90.00000
_cell_volume 216.11925
_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 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.25000 0.75000 0.50000 1.00000
Tl1 Tl 0.65211 0.12500 0.25000 1.00000
Tl2 Tl 0.09789 0.62500 0.25000 1.00000
Tl3 Tl 0.37500 0.34789 0.75000 1.00000
Tl4 Tl 0.87500 0.90211 0.75000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 0.75000 0.25000 0.50000 1.00000
Get direct link