SiTcGe
Alexandria ALEXAlex-ID: agm005690103 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_2563_spg129
TcGe2 Si7Tc4 Ge
2023-06-18 10:57:21.284981
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690103).
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
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# CIF generated by HEAS from Alexandria entry agm005690103
data_agm005690103
_cell_length_a 3.74779
_cell_length_b 3.23444
_cell_length_c 7.36167
_cell_angle_alpha 89.99737
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 89.23819
_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
Si1 Si 0.25000 0.75001 0.01872 1.00000
Si2 Si 0.75000 0.24999 0.98128 1.00000
Tc1 Tc 0.25000 0.25001 0.76227 1.00000
Tc2 Tc 0.75000 0.74999 0.23773 1.00000
Ge1 Ge 0.25000 0.24994 0.38522 1.00000
Ge2 Ge 0.75000 0.75006 0.61478 1.00000
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