Ta2Tc3
Alexandria ALEXAlex-ID: agm005505985 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_55_spg43
TaTc Tc
2023-03-20 13:17:28.354245
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505985).
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 agm005505985
data_agm005505985
_cell_length_a 8.10108
_cell_length_b 7.26951
_cell_length_c 5.21919
_cell_angle_alpha 79.01597
_cell_angle_beta 61.75250
_cell_angle_gamma 39.23153
_cell_volume 162.46730
_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
Ta1 Ta 0.94746 0.94746 0.55254 1.00000
Ta2 Ta 0.55254 0.55254 0.94746 1.00000
Ta3 Ta 0.30254 0.30254 0.69746 1.00000
Ta4 Ta 0.69746 0.69746 0.30254 1.00000
Tc1 Tc 0.90516 0.90516 0.09484 1.00000
Tc2 Tc 0.09484 0.09484 0.90516 1.00000
Tc3 Tc 0.34484 0.34484 0.15516 1.00000
Tc4 Tc 0.15516 0.15516 0.34484 1.00000
Tc5 Tc 0.50000 0.50000 0.50000 1.00000
Tc6 Tc 0.75000 0.75000 0.75000 1.00000
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