InTc2Ag
Alexandria ALEXAlex-ID: agm002895836 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_185_spg122
In2Ag5 In Tc
2023-03-26 23:59:38.439304
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002895836).
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 agm002895836
data_agm002895836
_cell_length_a 7.56148
_cell_length_b 7.56148
_cell_length_c 5.95247
_cell_angle_alpha 50.56850
_cell_angle_beta 50.56850
_cell_angle_gamma 90.00000
_cell_volume 149.57690
_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 0.62332 0.12500 0.25000 1.00000
Tc2 Tc 0.12668 0.62500 0.25000 1.00000
Tc3 Tc 0.37500 0.37668 0.75000 1.00000
Tc4 Tc 0.87500 0.87332 0.75000 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Ag2 Ag 0.25000 0.75000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.75000 0.25000 0.50000 1.00000
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