Sn8Sb6P
Alexandria ALEXAlex-ID: agm072108293 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_250_spg148
Sn4Sb3 Sb Sn4P3
2024-10-07 03:53:15.137410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072108293).
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 agm072108293
data_agm072108293
_cell_length_a 7.73712
_cell_length_b 7.73712
_cell_length_c 7.73712
_cell_angle_alpha 88.08978
_cell_angle_beta 88.08978
_cell_angle_gamma 88.08978
_cell_volume 462.41261
_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
Sn1 Sn 0.71870 0.71870 0.71870 1.00000
Sn2 Sn 0.28130 0.28130 0.28130 1.00000
Sn3 Sn 0.11782 0.69063 0.85535 1.00000
Sn4 Sn 0.69063 0.85535 0.11782 1.00000
Sn5 Sn 0.85535 0.11782 0.69063 1.00000
Sn6 Sn 0.88218 0.30937 0.14465 1.00000
Sn7 Sn 0.30937 0.14465 0.88218 1.00000
Sn8 Sn 0.14465 0.88218 0.30937 1.00000
Sb1 Sb 0.87178 0.62920 0.37370 1.00000
Sb2 Sb 0.62920 0.37370 0.87178 1.00000
Sb3 Sb 0.37370 0.87178 0.62920 1.00000
Sb4 Sb 0.12822 0.37080 0.62630 1.00000
Sb5 Sb 0.37080 0.62630 0.12822 1.00000
Sb6 Sb 0.62630 0.12822 0.37080 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
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