Sm5ScTl6
Alexandria ALEXAlex-ID: agm003677592 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Sm3Tl5 Sm2Sc3Tl4 SmTl
2022-04-10 02:54:23.394018
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677592).
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 agm003677592
data_agm003677592
_cell_length_a 5.41290
_cell_length_b 9.35848
_cell_length_c 9.36754
_cell_angle_alpha 60.03199
_cell_angle_beta 73.14326
_cell_angle_gamma 54.51281
_cell_volume 334.72403
_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 0.50000 0.17232 0.65536 1.00000
Sm2 Sm 0.00000 0.33557 0.32885 1.00000
Sm3 Sm 0.50000 0.50000 0.00000 1.00000
Sm4 Sm 1.00000 0.66443 0.67115 1.00000
Sm5 Sm 0.50000 0.82768 0.34464 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.75934 0.07969 0.32234 1.00000
Tl2 Tl 0.24066 0.59796 0.32234 1.00000
Tl3 Tl 0.26768 0.23338 0.00000 1.00000
Tl4 Tl 0.73232 0.76662 1.00000 1.00000
Tl5 Tl 0.75934 0.40204 0.67766 1.00000
Tl6 Tl 0.24066 0.92031 0.67766 1.00000
Get direct link