Dy3TlFe
Alexandria ALEXAlex-ID: agm068322834 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_148_spg62
Dy8Tl3Fe DyFe2
2025-02-23 07:52:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068322834).
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 agm068322834
data_agm068322834
_cell_length_a 3.84030
_cell_length_b 8.63983
_cell_length_c 15.65452
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 519.40895
_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 0.25000 0.79506 0.99973 1.00000
Dy2 Dy 0.75000 0.24271 0.69097 1.00000
Dy3 Dy 0.75000 0.07824 0.35337 1.00000
Dy4 Dy 0.75000 0.57824 0.14663 1.00000
Dy5 Dy 0.75000 0.20494 0.00027 1.00000
Dy6 Dy 0.25000 0.42176 0.85337 1.00000
Dy7 Dy 0.25000 0.29506 0.50027 1.00000
Dy8 Dy 0.75000 0.74271 0.80903 1.00000
Dy9 Dy 0.25000 0.25729 0.19097 1.00000
Dy10 Dy 0.25000 0.75729 0.30903 1.00000
Dy11 Dy 0.75000 0.70494 0.49973 1.00000
Dy12 Dy 0.25000 0.92176 0.64663 1.00000
Tl1 Tl 0.75000 0.45080 0.34240 1.00000
Tl2 Tl 0.25000 0.54920 0.65760 1.00000
Tl3 Tl 0.75000 0.95080 0.15760 1.00000
Tl4 Tl 0.25000 0.04920 0.84240 1.00000
Fe1 Fe 0.25000 0.95262 0.46529 1.00000
Fe2 Fe 0.25000 0.45262 0.03471 1.00000
Fe3 Fe 0.75000 0.54738 0.96529 1.00000
Fe4 Fe 0.75000 0.04738 0.53471 1.00000
