Sm8SiTe3Se4
Alexandria ALEXAlex-ID: agm004716639 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Sm6SiTe3Se2 Sm2TeSe Sm4SiSe3
2023-02-05 10:13:28.576496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004716639).
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 agm004716639
data_agm004716639
_cell_length_a 8.60651
_cell_length_b 8.56299
_cell_length_c 8.60471
_cell_angle_alpha 120.16012
_cell_angle_beta 120.00691
_cell_angle_gamma 90.00000
_cell_volume 447.27331
_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 0.24027 0.75672 0.01651 1.00000
Sm2 Sm 0.24050 0.75703 0.48100 1.00000
Sm3 Sm 0.23973 0.21904 0.47945 1.00000
Sm4 Sm 0.77623 0.75672 0.01651 1.00000
Sm5 Sm 0.22377 0.24328 0.98349 1.00000
Sm6 Sm 0.76027 0.78096 0.52055 1.00000
Sm7 Sm 0.75950 0.24297 0.51900 1.00000
Sm8 Sm 0.75973 0.24328 0.98349 1.00000
Si1 Si 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.50000 0.50000 0.50000 1.00000
Te3 Te 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
Se3 Se 0.00000 0.00000 0.00000 1.00000
Se4 Se 0.00000 0.00000 0.50000 1.00000
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