Sm8Sb6Se
Alexandria ALEXAlex-ID: agm072065693 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_38_spg148
Sm6Sb5Se Sm4Sb3Se Sm5Sb3
2024-10-07 07:20:51.221882
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072065693).
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 agm072065693
data_agm072065693
_cell_length_a 8.23622
_cell_length_b 8.23622
_cell_length_c 8.23622
_cell_angle_alpha 68.47827
_cell_angle_beta 68.47827
_cell_angle_gamma 68.47827
_cell_volume 465.77393
_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 0.33309 0.33309 0.33309 1.00000
Sm2 Sm 0.66691 0.66691 0.66691 1.00000
Sm3 Sm 0.81797 0.09227 0.35237 1.00000
Sm4 Sm 0.35237 0.81797 0.09227 1.00000
Sm5 Sm 0.09227 0.35237 0.81797 1.00000
Sm6 Sm 0.18203 0.90773 0.64763 1.00000
Sm7 Sm 0.64763 0.18203 0.90773 1.00000
Sm8 Sm 0.90773 0.64763 0.18203 1.00000
Sb1 Sb 0.07517 0.69520 0.46732 1.00000
Sb2 Sb 0.46732 0.07517 0.69520 1.00000
Sb3 Sb 0.69520 0.46732 0.07517 1.00000
Sb4 Sb 0.92483 0.30480 0.53268 1.00000
Sb5 Sb 0.53268 0.92483 0.30480 1.00000
Sb6 Sb 0.30480 0.53268 0.92483 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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