Sn(Sb3Os)4
Alexandria ALEXAlex-ID: agm006011122 · 空间群: Im-3 (#204)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_67_spg204
Sb2Os Sn4Sb3 Sb
2023-08-07 16:54:19.966612
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006011122).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006011122
data_agm006011122
_cell_length_a 8.18840
_cell_length_b 8.18839
_cell_length_c 8.18839
_cell_angle_alpha 109.47120
_cell_angle_beta 109.47129
_cell_angle_gamma 109.47128
_cell_volume 422.64331
_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 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.84453 0.33395 0.17848 1.00000
Sb2 Sb 0.33395 0.48941 0.15547 1.00000
Sb3 Sb 0.82152 0.15547 0.66605 1.00000
Sb4 Sb 0.33395 0.17848 0.84453 1.00000
Sb5 Sb 0.17848 0.84453 0.33395 1.00000
Sb6 Sb 0.66605 0.51059 0.84453 1.00000
Sb7 Sb 0.48941 0.15547 0.33395 1.00000
Sb8 Sb 0.51059 0.84453 0.66605 1.00000
Sb9 Sb 0.66605 0.82152 0.15547 1.00000
Sb10 Sb 0.84453 0.66605 0.51059 1.00000
Sb11 Sb 0.15547 0.33395 0.48941 1.00000
Sb12 Sb 0.15547 0.66605 0.82152 1.00000
Os1 Os 0.00000 0.50000 0.00000 1.00000
Os2 Os 0.50000 0.00000 0.00000 1.00000
Os3 Os 0.50000 0.50000 0.50000 1.00000
Os4 Os 0.00000 0.00000 0.50000 1.00000
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