NaSm2DyTl4
Alexandria ALEXAlex-ID: agm013089124 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_882_spg12
NaSmTl2 SmDyTl2
2024-07-10 23:27:53.179369
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013089124).
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 agm013089124
data_agm013089124
_cell_length_a 9.45279
_cell_length_b 9.45279
_cell_length_c 9.45279
_cell_angle_alpha 33.03559
_cell_angle_beta 33.03559
_cell_angle_gamma 33.03559
_cell_volume 223.40932
_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
Na1 Na 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.75512 0.75512 0.75512 1.00000
Sm2 Sm 0.24488 0.24488 0.24488 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.37443 0.37443 0.37443 1.00000
Tl2 Tl 0.87635 0.87635 0.87635 1.00000
Tl3 Tl 0.12365 0.12365 0.12365 1.00000
Tl4 Tl 0.62557 0.62557 0.62557 1.00000
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