TcSb
Alexandria ALEXAlex-ID: agm005455355 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_30_spg8
Tc3Sb4 Tc
2023-03-22 00:59:16.384743
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005455355).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005455355
data_agm005455355
_cell_length_a 5.06000
_cell_length_b 5.06000
_cell_length_c 7.86704
_cell_angle_alpha 68.43520
_cell_angle_beta 68.43520
_cell_angle_gamma 37.50783
_cell_volume 113.02534
_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
Tc1 Tc 0.28511 0.28511 0.29837 1.00000
Tc2 Tc 0.01074 0.01074 0.65786 1.00000
Tc3 Tc 0.27773 0.27773 0.89872 1.00000
Sb1 Sb 0.95895 0.95895 0.01798 1.00000
Sb2 Sb 0.74740 0.74740 0.61907 1.00000
Sb3 Sb 0.55341 0.55341 0.34133 1.00000
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