Dy3TlTc
Alexandria ALEXAlex-ID: agm005802443 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6933_spg2
Dy4TlTc Dy5Tl4 DyTc2
2023-07-06 00:54:49.728993
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802443).
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 agm005802443
data_agm005802443
_cell_length_a 5.89250
_cell_length_b 5.89249
_cell_length_c 8.75068
_cell_angle_alpha 102.33372
_cell_angle_beta 102.33076
_cell_angle_gamma 111.44714
_cell_volume 261.67264
_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
Dy1 Dy 0.29962 0.79963 0.09925 1.00000
Dy2 Dy 0.70038 0.20037 0.90075 1.00000
Dy3 Dy 0.07774 0.19771 0.27545 1.00000
Dy4 Dy 0.92226 0.80229 0.72455 1.00000
Dy5 Dy 0.69769 0.57777 0.27546 1.00000
Dy6 Dy 0.30231 0.42223 0.72454 1.00000
Tl1 Tl 0.71413 0.21413 0.50000 1.00000
Tl2 Tl 0.28587 0.78587 0.50000 1.00000
Tc1 Tc 0.25001 0.25001 0.00000 1.00000
Tc2 Tc 0.74999 0.74999 1.00000 1.00000
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