Sm6DyTl4
Alexandria ALEXAlex-ID: agm003662424 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_73_spg8
Dy9Tl4 SmDy5 Sm5Tl3
2022-04-08 14:09:04.679271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662424).
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 agm003662424
data_agm003662424
_cell_length_a 9.63718
_cell_length_b 9.63718
_cell_length_c 9.63718
_cell_angle_alpha 57.06216
_cell_angle_beta 140.52161
_cell_angle_gamma 140.52161
_cell_volume 358.79309
_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
Sm1 Sm 1.00000 0.91563 0.44346 1.00000
Sm2 Sm 1.00000 0.44346 0.91563 1.00000
Sm3 Sm 0.52783 0.08437 0.08437 1.00000
Sm4 Sm 0.50000 0.00000 0.50000 1.00000
Sm5 Sm 0.47217 0.55654 0.55654 1.00000
Sm6 Sm 0.50000 0.50000 0.00000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.00000 0.10798 0.62325 1.00000
Tl2 Tl 0.48472 0.37675 0.37675 1.00000
Tl3 Tl 0.00000 0.62325 0.10798 1.00000
Tl4 Tl 0.51528 0.89202 0.89202 1.00000
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