Sm6Tl3Te
Alexandria ALEXAlex-ID: agm003575992 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_615_spg36
Sm4TlTe3 Sm5Tl3 Sm
2022-04-02 15:43:04.593757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003575992).
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 agm003575992
data_agm003575992
_cell_length_a 7.47506
_cell_length_b 9.26717
_cell_length_c 9.26717
_cell_angle_alpha 91.32785
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 641.78909
_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 0.08209 0.85056 0.67944 1.00000
Sm2 Sm 0.58209 0.67944 0.85056 1.00000
Sm3 Sm 0.20292 0.46657 0.78881 1.00000
Sm4 Sm 0.70292 0.78881 0.46657 1.00000
Sm5 Sm 0.28356 0.01191 0.98809 1.00000
Sm6 Sm 0.67653 0.30612 0.69388 1.00000
Sm7 Sm 0.17653 0.69388 0.30612 1.00000
Sm8 Sm 0.78356 0.98809 0.01191 1.00000
Sm9 Sm 0.20292 0.21119 0.53343 1.00000
Sm10 Sm 0.70292 0.53343 0.21119 1.00000
Sm11 Sm 0.08209 0.32056 0.14944 1.00000
Sm12 Sm 0.58209 0.14944 0.32056 1.00000
Tl1 Tl 0.50199 0.98728 0.68761 1.00000
Tl2 Tl 0.00199 0.68761 0.98728 1.00000
Tl3 Tl 0.44419 0.50290 0.49710 1.00000
Tl4 Tl 0.94419 0.49710 0.50290 1.00000
Tl5 Tl 0.00199 0.01272 0.31239 1.00000
Tl6 Tl 0.50199 0.31239 0.01272 1.00000
Te1 Te 0.00707 0.17516 0.82484 1.00000
Te2 Te 0.50707 0.82484 0.17516 1.00000
