TbDyTl4
Alexandria ALEXAlex-ID: agm003752017 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
TbTl3 DyTl
2022-04-19 05:37:11.009195
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752017).
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
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# CIF generated by HEAS from Alexandria entry agm003752017
data_agm003752017
_cell_length_a 5.02436
_cell_length_b 5.02604
_cell_length_c 7.62018
_cell_angle_alpha 89.96992
_cell_angle_beta 89.97833
_cell_angle_gamma 90.09886
_cell_volume 192.42947
_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
Tb1 Tb 0.00130 0.99731 0.49815 1.00000
Dy1 Dy 0.50127 0.49730 0.99815 1.00000
Tl1 Tl 0.50145 0.99708 0.24683 1.00000
Tl2 Tl 0.50118 0.99747 0.74943 1.00000
Tl3 Tl 0.00143 0.49709 0.74929 1.00000
Tl4 Tl 0.00115 0.49747 0.24697 1.00000
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