NaTb2YTl4
Alexandria ALEXAlex-ID: agm017446967 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
TbY2Tl3 Tb3YTl4 NaTbTl2
2025-07-01 06:05:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017446967).
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 agm017446967
data_agm017446967
_cell_length_a 5.32191
_cell_length_b 5.32191
_cell_length_c 9.34129
_cell_angle_alpha 73.99392
_cell_angle_beta 106.00608
_cell_angle_gamma 119.58483
_cell_volume 218.05198
_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
Na1 Na 0.50000 0.50000 0.00000 1.00000
Tb1 Tb 0.75465 0.24535 0.76189 1.00000
Tb2 Tb 0.24535 0.75465 0.23811 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.37537 0.62463 0.62607 1.00000
Tl2 Tl 0.87472 0.12528 0.12471 1.00000
Tl3 Tl 0.12528 0.87472 0.87529 1.00000
Tl4 Tl 0.62463 0.37537 0.37393 1.00000
Get direct link