Dy6Tl5Ga
Alexandria ALEXAlex-ID: agm006100727 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
DyTl DyGa
2023-09-16 22:36:09.360268
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100727).
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 agm006100727
data_agm006100727
_cell_length_a 5.34488
_cell_length_b 7.43388
_cell_length_c 8.45438
_cell_angle_alpha 90.00032
_cell_angle_beta 71.57267
_cell_angle_gamma 90.00100
_cell_volume 318.69535
_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
Tl1 Tl 0.66849 0.50000 0.66303 1.00000
Tl2 Tl 0.33037 0.00000 0.33927 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Tl4 Tl 0.66963 1.00000 0.66073 1.00000
Tl5 Tl 0.33151 0.50000 0.33697 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.83828 0.75386 0.32344 1.00000
Dy2 Dy 0.83828 0.24614 0.32344 1.00000
Dy3 Dy 0.50000 0.24110 1.00000 1.00000
Dy4 Dy 0.50000 0.75890 0.00000 1.00000
Dy5 Dy 0.16172 0.75386 0.67656 1.00000
Dy6 Dy 0.16172 0.24614 0.67656 1.00000
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