AcDy3Tl
Alexandria ALEXAlex-ID: agm003720102 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_12_spg194
Ac2Dy3Tl4 Ac Dy
2022-04-30 00:59:43.845060
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003720102).
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 agm003720102
data_agm003720102
_cell_length_a 6.34773
_cell_length_b 8.03329
_cell_length_c 8.03653
_cell_angle_alpha 119.97512
_cell_angle_beta 89.99947
_cell_angle_gamma 90.00000
_cell_volume 354.99295
_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
Ac1 Ac 0.74996 0.66675 0.33340 1.00000
Ac2 Ac 0.25004 0.33326 0.66662 1.00000
Dy1 Dy 0.75003 0.61813 0.80905 1.00000
Dy2 Dy 0.24998 0.80907 0.61813 1.00000
Dy3 Dy 0.24997 0.38186 0.19095 1.00000
Dy4 Dy 0.75002 0.19093 0.38188 1.00000
Dy5 Dy 0.24996 0.80911 0.19096 1.00000
Dy6 Dy 0.75004 0.19089 0.80905 1.00000
Tl1 Tl 1.00000 1.00000 1.00000 1.00000
Tl2 Tl 0.50000 1.00000 1.00000 1.00000
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